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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3S/c1-23(2)22-35-26-10-12-27(13-11-26)36(33,34)30-20-28(25-9-6-14-29-19-25)32-17-15-31(16-18-32)21-24-7-4-3-5-8-24/h3-14,19,23,28,30H,15-18,20-22H2,1-2H3