Molecule structure of Obatoclax mesilate (CAS NO.803712-79-0):

IUPAC Name: (2E)-2-[(5E)-5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole; methanesulfonic acid 
Molecular Weight: 413.49002 [g/mol]
Molecular Formula: C₂₁H₂₃N₃O₄S
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Tautomer Count: 19
Exact Mass: 413.140927
MonoIsotopic Mass: 413.140927
Topological Polar Surface Area: 104
Heavy Atom Count: 29
Canonical SMILES: CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C.CS(=O)(=O)O
Isomeric SMILES: CC1=CC(=C(N1)/C=C/2\C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C.CS(=O)(=O)O
InChI: InChI=1S/C20H19N3O.CH4O3S/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;1-5(2,3)4/h4-11,21,23H,1-3H3;1H3,(H,2,3,4)/b18-17+,19-10+;
InChIKey of Obatoclax mesilate (CAS NO.803712-79-0): ZVAGBRFUYHSUHA-CFWFSBERSA-N

 Obatoclax mesilate (CAS NO.803712-79-0) is also named as 1H-indole, 2-[(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl]-, methanesulfonate (1:1) ; 2-{(2Z)-2-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl}-1H-indole methanesulfonate (1:1) ; GX 15-070MS ; GX015-070 ; UNII-39200FJ43J ; 1H-Indole, 2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-, monomethanesulfonate .