N-[4-ethyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-2-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-ethyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-ethyl-phenyl]-2-hydroxy-benzenesulfonamide CAS Name: N-[4-ethyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]-2-hydroxybenzenesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-ethylphenyl]-2-hydroxybenzenesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-ethyl-phenyl]-2-hydroxy-benzenesulfonamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-2-19-12-13-22(27-32(30,31)25-11-7-6-10-24(25)29)23(17-19)28-15-14-26-21(18-28)16-20-8-4-3-5-9-20/h3-13,17,21,26-27,29H,2,14-16,18H2,1H3