[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C31H31N3O6S MolecularWeight: 573.65934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C31H31N3O6S/c1-3-39-28-15-14-23(18-29(28)41(37,38)34-16-6-7-17-34)32-30(35)20-40-31(36)25-19-27(22-12-10-21(2)11-13-22)33-26-9-5-4-8-24(25)26/h4-5,8-15,18-19H,3,6-7,16-17,20H2,1-2H3,(H,32,35)