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

Systemtic Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylidene-5-propan-2-yl-azepan-3-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(5-isopropyl-2-oxo-azepan-3-yl)amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxo-5-propan-2-yl-3-azepanyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(2-oxo-5-propan-2-ylazepan-3-yl)amino]methyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(5-isopropyl-2-keto-azepan-3-yl)amino]methyl]benzoic acid methyl ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN2O5S/c1-16(2)19-12-13-26-23(28)22(14-19)27(33(30,31)21-10-8-20(25)9-11-21)15-17-4-6-18(7-5-17)24(29)32-3/h4-11,16,19,22H,12-15H2,1-3H3,(H,26,28)