4-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]carbonylbenzenesulfonamide

Systemtic Name: 4-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]carbonylbenzenesulfonamide Openeye Name: 4-[4-[3-[[4-(3-pyridylmethyl)piperazin-1-yl]methyl]phenoxy]piperidine-1-carbonyl]benzenesulfonamide CAS Name: 4-[oxo-[4-[3-[[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]phenoxy]-1-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]piperidine-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-[3-[[4-(3-pyridylmethyl)piperazino]methyl]phenoxy]piperidine-1-carbonyl]benzenesulfonamide Formula: C29H35N5O4S MolecularWeight: 549.6843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)CN3CCN(CC3)CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)CN3CCN(CC3)CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C29H35N5O4S/c30-39(36,37)28-8-6-25(7-9-28)29(35)34-13-10-26(11-14-34)38-27-5-1-3-23(19-27)21-32-15-17-33(18-16-32)22-24-4-2-12-31-20-24/h1-9,12,19-20,26H,10-11,13-18,21-22H2,(H2,30,36,37)