[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O6S/c1-2-11-21-20(26)23-18(24)14-29-19(25)16-9-6-10-17(12-16)30(27,28)22-13-15-7-4-3-5-8-15/h2-10,12,22H,1,11,13-14H2,(H2,21,23,24,26)