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

Systemtic Name: N-[4-(2-hydroxyphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]-2-hydroxy-benzenesulfonamide CAS Name: 2-hydroxy-N-[4-(2-hydroxyphenyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]-2-hydroxybenzenesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-(2-hydroxyphenyl)phenyl]-2-hydroxy-benzenesulfonamide Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)C5=CC=CC=C5O

InChI

InChI=1S/C29H29N3O4S/c33-27-11-5-4-10-24(27)22-14-15-25(31-37(35,36)29-13-7-6-12-28(29)34)26(19-22)32-17-16-30-23(20-32)18-21-8-2-1-3-9-21/h1-15,19,23,30-31,33-34H,16-18,20H2