[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[4-(3,5-dimethylpiperidino)sulfonylanilino]-2-keto-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C)C

InChI

InChI=1S/C22H27N3O6S/c1-14-8-15(2)12-25(11-14)32(29,30)19-6-4-18(5-7-19)24-21(27)13-31-22(28)20-9-17(10-23-20)16(3)26/h4-7,9-10,14-15,23H,8,11-13H2,1-3H3,(H,24,27)