[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)propanoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 3-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H27N3O5S/c1-16-14-18(25-12-2-3-13-25)7-10-20(16)24-21(26)15-30-22(27)11-6-17-4-8-19(9-5-17)31(23,28)29/h4-5,7-10,14H,2-3,6,11-13,15H2,1H3,(H,24,26)(H2,23,28,29)