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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-[allyl-(4-chlorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-chlorophenyl)sulfamoyl]benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-4-12-24(18-10-8-17(22)9-11-18)30(27,28)19-7-5-6-16(13-19)21(26)29-14-20(25)23-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H,23,25)