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

Systemtic Name: ethyl 4-[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[4-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H33ClN4O5S MolecularWeight: 537.07132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C)C

InChI

InChI=1S/C25H33ClN4O5S/c1-4-35-25(32)22-17(2)27-18(3)23(22)36(33,34)30-11-9-19(10-12-30)24(31)29-15-13-28(14-16-29)21-7-5-20(26)6-8-21/h5-8,19,27H,4,9-16H2,1-3H3