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

Systemtic Name: ethyl 2,5-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[3-[4-(2-pyridyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-[4-(2-pyridyl)piperazine-1-carbonyl]piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H33N5O5S MolecularWeight: 503.61432

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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=N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C)C

InChI

InChI=1S/C24H33N5O5S/c1-4-34-24(31)21-17(2)26-18(3)22(21)35(32,33)29-11-7-8-19(16-29)23(30)28-14-12-27(13-15-28)20-9-5-6-10-25-20/h5-6,9-10,19,26H,4,7-8,11-16H2,1-3H3