[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 3-[allyl-(4-chlorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-chlorophenyl)sulfamoyl]benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC=C)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC=C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-3-12-23-20(25)15-29-21(26)16-6-5-7-19(14-16)30(27,28)24(13-4-2)18-10-8-17(22)9-11-18/h3-11,14H,1-2,12-13,15H2,(H,23,25)