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

Systemtic Name: [2-(3-iodanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamic acid Openeye Name: [4-(benzenesulfonyl)-2-(3-iodopiperazin-1-yl)phenyl]sulfamic acid CAS Name: [4-(benzenesulfonyl)-2-(3-iodo-1-piperazinyl)phenyl]sulfamic acid IUPAC Name: [4-(benzenesulfonyl)-2-(3-iodopiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [4-besyl-2-(3-iodopiperazino)phenyl]sulfamic acid Formula: C16H18IN3O5S2 MolecularWeight: 523.36569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18IN3O5S2/c17-16-11-20(9-8-18-16)15-10-13(6-7-14(15)19-27(23,24)25)26(21,22)12-4-2-1-3-5-12/h1-7,10,16,18-19H,8-9,11H2,(H,23,24,25)