[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methyl-5-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methyl-5-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(benzylsulfamoyl)-2-methyl-benzoate CAS Name: 2-methyl-5-[(phenylmethyl)sulfamoyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(benzylsulfamoyl)-2-methyl-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H20N2O5S/c1-3-11-21-19(23)14-27-20(24)18-12-17(10-9-15(18)2)28(25,26)22-13-16-7-5-4-6-8-16/h1,4-10,12,22H,11,13-14H2,2H3,(H,21,23)