methyl 3-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]benzoate

Systemtic Name: methyl 3-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]benzoate Openeye Name: methyl 3-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]benzoate CAS Name: 3-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)16-6-4-5-15(13-16)14-24(19-7-2-3-12-23-20(19)25)30(27,28)18-10-8-17(22)9-11-18/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,23,25)