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

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-[4-(2-pyridyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-[4-(2-pyridyl)piperazine-1-carbonyl]piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H35N5O5S MolecularWeight: 517.6409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O5S/c1-5-35-25(32)22-18(2)27(4)19(3)23(22)36(33,34)30-12-8-9-20(17-30)24(31)29-15-13-28(14-16-29)21-10-6-7-11-26-21/h6-7,10-11,20H,5,8-9,12-17H2,1-4H3