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

Systemtic Name: ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H42N4O5S MolecularWeight: 522.70048

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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)C4CCCCC4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4CCCCC4)C)C)C

InChI

InChI=1S/C26H42N4O5S/c1-5-35-26(32)23-19(2)27(4)20(3)24(23)36(33,34)30-13-9-10-21(18-30)25(31)29-16-14-28(15-17-29)22-11-7-6-8-12-22/h21-22H,5-18H2,1-4H3