[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(p-tolylsulfamoyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfamoyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-(p-tolylsulfamoyl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-17-7-11-20(12-8-17)24-31(28,29)21-13-9-19(10-14-21)23(27)30-18(2)22(26)25-15-5-3-4-6-16-25/h7-14,18,24H,3-6,15-16H2,1-2H3