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

Systemtic Name: ethyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidino]sulfonyl-2,5-dimethyl-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)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C)C

InChI

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