[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H22N2O5S/c1-24(21,22)17-14-8-6-7-13(11-14)16(20)23-12-15(19)18-9-4-2-3-5-10-18/h6-8,11,17H,2-5,9-10,12H2,1H3