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

Systemtic Name: 4-ethoxy-3-methyl-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]-4-ethoxy-3-methyl-benzenesulfonamide CAS Name: 4-ethoxy-3-methyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-ethoxy-3-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-4-ethoxy-3-methyl-benzenesulfonamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

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