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

Systemtic Name: [6-methyl-2-[1-(phenylsulfonyl)piperidin-4-yl]pyridin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [2-[1-(benzenesulfonyl)-4-piperidyl]-6-methyl-3-pyridyl]-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [2-[1-(benzenesulfonyl)-4-piperidinyl]-6-methyl-3-pyridinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [2-(1-besyl-4-piperidyl)-6-methyl-3-pyridyl]-(4-piperidinopiperidino)methanone Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCC(CC2)N3CCCCC3)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCC(CC2)N3CCCCC3)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H38N4O3S/c1-22-10-11-26(28(33)31-18-14-24(15-19-31)30-16-6-3-7-17-30)27(29-22)23-12-20-32(21-13-23)36(34,35)25-8-4-2-5-9-25/h2,4-5,8-11,23-24H,3,6-7,12-21H2,1H3