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

Systemtic Name: 4-ethoxy-3,5-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]-4-ethoxy-3,5-dimethyl-benzenesulfonamide CAS Name: 4-ethoxy-3,5-dimethyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-ethoxy-3,5-dimethylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H36N4O3S/c1-4-35-28-22(2)17-26(18-23(28)3)36(33,34)30-20-27(25-11-8-12-29-19-25)32-15-13-31(14-16-32)21-24-9-6-5-7-10-24/h5-12,17-19,27,30H,4,13-16,20-21H2,1-3H3