3-methoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 3-methoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-3-methoxy-benzenesulfonamide CAS Name: 3-methoxy-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-3-methoxybenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-3-methoxy-benzenesulfonamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c1-32-23-10-5-11-24(17-23)33(30,31)27-19-25(22-9-6-12-26-18-22)29-15-13-28(14-16-29)20-21-7-3-2-4-8-21/h2-12,17-18,25,27H,13-16,19-20H2,1H3