1-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]piperazin-1-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]-3-phenoxy-2-propanol IUPAC Name: 1-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[4-[1-(2-mesylbenzyl)-4-piperidyl]piperazino]-3-phenoxy-propan-2-ol Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C26H37N3O4S/c1-34(31,32)26-10-6-5-7-22(26)19-27-13-11-23(12-14-27)29-17-15-28(16-18-29)20-24(30)21-33-25-8-3-2-4-9-25/h2-10,23-24,30H,11-21H2,1H3