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

Systemtic Name: 4-ethanoyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-21(31)23-9-11-25(12-10-23)34(32,33)28-19-26(24-8-5-13-27-18-24)30-16-14-29(15-17-30)20-22-6-3-2-4-7-22/h2-13,18,26,28H,14-17,19-20H2,1H3