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

Systemtic Name: ethyl 2,5-dimethyl-4-[3-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[3-(4-phenylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-(4-phenylpiperazine-1-carbonyl)piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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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=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O5S/c1-4-34-25(31)22-18(2)26-19(3)23(22)35(32,33)29-12-8-9-20(17-29)24(30)28-15-13-27(14-16-28)21-10-6-5-7-11-21/h5-7,10-11,20,26H,4,8-9,12-17H2,1-3H3