ethyl 2,5-dimethyl-4-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C27H38N4O5S MolecularWeight: 530.67942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C)C)C

InChI

InChI=1S/C27H38N4O5S/c1-6-36-27(33)24-20(4)28-21(5)25(24)37(34,35)30-12-10-22(11-13-30)26(32)29-14-15-31(19(3)17-29)23-9-7-8-18(2)16-23/h7-9,16,19,22,28H,6,10-15,17H2,1-5H3