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

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

Isomeric SMILES

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

InChI

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