[4-(2-hydroxyphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamic acid

Systemtic Name: [4-(2-hydroxyphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-(2-hydroxyphenyl)phenyl]sulfamic acid CAS Name: [2-[3-(benzenesulfonyl)-1-piperazinyl]-4-(2-hydroxyphenyl)phenyl]sulfamic acid IUPAC Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-(2-hydroxyphenyl)phenyl]sulfamic acid Traditional Name: [2-(3-besylpiperazino)-4-(2-hydroxyphenyl)phenyl]sulfamic acid Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)O

InChI

InChI=1S/C22H23N3O6S2/c26-21-9-5-4-8-18(21)16-10-11-19(24-33(29,30)31)20(14-16)25-13-12-23-22(15-25)32(27,28)17-6-2-1-3-7-17/h1-11,14,22-24,26H,12-13,15H2,(H,29,30,31)