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

Systemtic Name: [2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(phenylmethyl)phenyl]sulfamic acid Openeye Name: [4-benzyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]phenyl]sulfamic acid CAS Name: [2-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-(phenylmethyl)phenyl]sulfamic acid IUPAC Name: [4-benzyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]phenyl]sulfamic acid Traditional Name: [4-benzyl-2-[3-(2-hydroxyphenyl)piperazino]phenyl]sulfamic acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)CC4=CC=CC=C4)NS(=O)(=O)O

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)CC4=CC=CC=C4)NS(=O)(=O)O

InChI

InChI=1S/C23H25N3O4S/c27-23-9-5-4-8-19(23)21-16-26(13-12-24-21)22-15-18(14-17-6-2-1-3-7-17)10-11-20(22)25-31(28,29)30/h1-11,15,21,24-25,27H,12-14,16H2,(H,28,29,30)