2-methoxy-4,5-dimethyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 2-methoxy-4,5-dimethyl-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]-2-methoxy-4,5-dimethyl-benzenesulfonamide CAS Name: 2-methoxy-4,5-dimethyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-2-methoxy-4,5-dimethyl-benzenesulfonamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H34N4O3S/c1-21-16-26(34-3)27(17-22(21)2)35(32,33)29-19-25(24-10-7-11-28-18-24)31-14-12-30(13-15-31)20-23-8-5-4-6-9-23/h4-11,16-18,25,29H,12-15,19-20H2,1-3H3