[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(4-methoxyanilino)-2-oxo-1-phenyl-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-keto-2-(p-anisidino)-1-phenyl-ethyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C25H22N2O6S/c1-3-17-26-34(30,31)22-15-9-19(10-16-22)25(29)33-23(18-7-5-4-6-8-18)24(28)27-20-11-13-21(32-2)14-12-20/h1,4-16,23,26H,17H2,2H3,(H,27,28)