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

Systemtic Name: 2-oxidanyl-N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propyl-phenyl]benzenesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-propyl-phenyl]-2-hydroxy-benzenesulfonamide CAS Name: 2-hydroxy-N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propylphenyl]benzenesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-propylphenyl]-2-hydroxybenzenesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-propyl-phenyl]-2-hydroxy-benzenesulfonamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S/c1-2-8-20-13-14-23(28-33(31,32)26-12-7-6-11-25(26)30)24(18-20)29-16-15-27-22(19-29)17-21-9-4-3-5-10-21/h3-7,9-14,18,22,27-28,30H,2,8,15-17,19H2,1H3