[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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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)NCC#C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C22H24N2O5S/c1-3-5-7-17-10-12-19(13-11-17)24-30(27,28)20-9-6-8-18(15-20)22(26)29-16-21(25)23-14-4-2/h2,6,8-13,15,24H,3,5,7,14,16H2,1H3,(H,23,25)