methyl 4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxidanylidene-azepan-3-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxidanylidene-azepan-3-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxo-azepan-3-yl)amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxo-3-azepanyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxoazepan-3-yl)amino]methyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(2-keto-5,5-dimethyl-azepan-3-yl)amino]methyl]benzoic acid methyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H27ClN2O5S/c1-23(2)12-13-25-21(27)20(14-23)26(32(29,30)19-10-8-18(24)9-11-19)15-16-4-6-17(7-5-16)22(28)31-3/h4-11,20H,12-15H2,1-3H3,(H,25,27)