1-[[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyphenyl]methyl]-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-[[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyphenyl]methyl]-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[[3-[[1-(p-tolylsulfonyl)-4-piperidyl]oxy]phenyl]methyl]-4-(3-pyridylmethyl)piperazine CAS Name: 1-[[3-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]oxy]phenyl]methyl]-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-[[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyphenyl]methyl]-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-(3-pyridylmethyl)-4-[3-[(1-tosyl-4-piperidyl)oxy]benzyl]piperazine Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)OC3=CC=CC(=C3)CN4CCN(CC4)CC5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)OC3=CC=CC(=C3)CN4CCN(CC4)CC5=CN=CC=C5

InChI

InChI=1S/C29H36N4O3S/c1-24-7-9-29(10-8-24)37(34,35)33-14-11-27(12-15-33)36-28-6-2-4-25(20-28)22-31-16-18-32(19-17-31)23-26-5-3-13-30-21-26/h2-10,13,20-21,27H,11-12,14-19,22-23H2,1H3