Carbamic acid, [6-chloro-5-[[(4-methylphenyl)sulfonyl]amino]-6-oxohexyl]-, phenylmethyl ester, (S)-

Base Information

• Chemical Name: Carbamic acid, [6-chloro-5-[[(4-methylphenyl)sulfonyl]amino]-6-oxohexyl]-, phenylmethyl ester, (S)-
• CAS No.: 116194-22-0
• Molecular Formula: C21H25ClN2O5S
• DSSTox Substance ID: DTXSID201114600
• Mol file: 116194-22-0.mol

Synonyms:DTXSID201114600;116194-22-0;Carbamic acid, [6-chloro-5-[[(4-methylphenyl)sulfonyl]amino]-6-oxohexyl]-, phenylmethyl ester, (S)-

Chemical Property of Carbamic acid, [6-chloro-5-[[(4-methylphenyl)sulfonyl]amino]-6-oxohexyl]-, phenylmethyl ester, (S)-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 452.1172708
• Heavy Atom Count: 30
• Complexity: 638

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)Cl
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)Cl

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