[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C26H30ClN3O6S MolecularWeight: 548.0509

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C26H30ClN3O6S/c1-2-18-8-4-5-9-23(18)30-16-19(14-25(30)32)26(33)36-17-24(31)28-22-15-20(10-11-21(22)27)37(34,35)29-12-6-3-7-13-29/h4-5,8-11,15,19H,2-3,6-7,12-14,16-17H2,1H3,(H,28,31)