2-(4-methoxyphenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanesulfonamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide CAS Name: 2-(4-methoxyphenyl)-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]ethanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCS(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCS(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3S/c1-34-26-11-9-23(10-12-26)13-19-35(32,33)29-21-27(25-8-5-14-28-20-25)31-17-15-30(16-18-31)22-24-6-3-2-4-7-24/h2-12,14,20,27,29H,13,15-19,21-22H2,1H3