ethyl 6-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]hexanoate

Systemtic Name: ethyl 6-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]hexanoate Openeye Name: ethyl 6-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]hexanoate CAS Name: 6-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]hexanoate Traditional Name: 6-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]hexanoic acid ethyl ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCCCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN2O5S/c1-2-28-19(24)9-4-3-7-15-23(18-8-5-6-14-22-20(18)25)29(26,27)17-12-10-16(21)11-13-17/h10-13,18H,2-9,14-15H2,1H3,(H,22,25)