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

Systemtic Name: [2-[3-(phenylmethyl)piperazin-1-yl]-4-(phenylsulfonyl)phenyl]sulfamic acid Openeye Name: [4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamic acid CAS Name: [4-(benzenesulfonyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [2-(3-benzylpiperazino)-4-besyl-phenyl]sulfamic acid Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)O

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)O

InChI

InChI=1S/C23H25N3O5S2/c27-32(28,20-9-5-2-6-10-20)21-11-12-22(25-33(29,30)31)23(16-21)26-14-13-24-19(17-26)15-18-7-3-1-4-8-18/h1-12,16,19,24-25H,13-15,17H2,(H,29,30,31)