(4-cyclopentylpiperazin-1-yl)-[6-methyl-2-[1-(phenylsulfonyl)piperidin-4-yl]pyridin-3-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-1-yl)-[6-methyl-2-[1-(phenylsulfonyl)piperidin-4-yl]pyridin-3-yl]methanone Openeye Name: [2-[1-(benzenesulfonyl)-4-piperidyl]-6-methyl-3-pyridyl]-(4-cyclopentylpiperazin-1-yl)methanone CAS Name: [2-[1-(benzenesulfonyl)-4-piperidinyl]-6-methyl-3-pyridinyl]-(4-cyclopentyl-1-piperazinyl)methanone IUPAC Name: [2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridin-3-yl]-(4-cyclopentylpiperazin-1-yl)methanone Traditional Name: [2-(1-besyl-4-piperidyl)-6-methyl-3-pyridyl]-(4-cyclopentylpiperazino)methanone Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCC3)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCC3)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H36N4O3S/c1-21-11-12-25(27(32)30-19-17-29(18-20-30)23-7-5-6-8-23)26(28-21)22-13-15-31(16-14-22)35(33,34)24-9-3-2-4-10-24/h2-4,9-12,22-23H,5-8,13-20H2,1H3