[2-[(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-[4-methyl-2-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[4-methyl-2-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-keto-2-(4-methyl-2-piperidinosulfonyl-anilino)ethyl] ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H29N3O6S2/c1-17-9-10-18(21(15-17)35(31,32)26-11-3-2-4-12-26)25-22(28)16-33-24(30)19-7-5-13-27(19)23(29)20-8-6-14-34-20/h6,8-10,14-15,19H,2-5,7,11-13,16H2,1H3,(H,25,28)