[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C27H30N2O5S/c1-4-5-7-21-10-12-23(13-11-21)29-35(32,33)25-9-6-8-22(17-25)27(31)34-18-26(30)28-24-15-19(2)14-20(3)16-24/h6,8-17,29H,4-5,7,18H2,1-3H3,(H,28,30)