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

Systemtic Name: [2-(3-iodanylpiperazin-1-yl)-4-(phenylmethyl)phenyl]sulfamic acid Openeye Name: [4-benzyl-2-(3-iodopiperazin-1-yl)phenyl]sulfamic acid CAS Name: [2-(3-iodo-1-piperazinyl)-4-(phenylmethyl)phenyl]sulfamic acid IUPAC Name: [4-benzyl-2-(3-iodopiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [4-benzyl-2-(3-iodopiperazino)phenyl]sulfamic acid Formula: C17H20IN3O3S MolecularWeight: 473.32847

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)I)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)O

Isomeric SMILES

C1CN(CC(N1)I)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)O

InChI

InChI=1S/C17H20IN3O3S/c18-17-12-21(9-8-19-17)16-11-14(10-13-4-2-1-3-5-13)6-7-15(16)20-25(22,23)24/h1-7,11,17,19-20H,8-10,12H2,(H,22,23,24)