[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-butan-2-yl]sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-3-15(2)20-27(24,25)17-10-8-16(9-11-17)19(23)26-14-18(22)21-12-6-4-5-7-13-21/h8-11,15,20H,3-7,12-14H2,1-2H3/t15-/m0/s1