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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(p-tolylsulfamoyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-(p-tolylsulfamoyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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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)OCC(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-17-6-10-19(11-7-17)23-30(27,28)20-12-8-18(9-13-20)22(26)29-16-21(25)24-14-4-2-3-5-15-24/h6-13,23H,2-5,14-16H2,1H3