methyl N-[2-(3-iodanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate

Systemtic Name: methyl N-[2-(3-iodanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: methyl N-[4-(benzenesulfonyl)-2-(3-iodopiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-(3-iodo-1-piperazinyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-(benzenesulfonyl)-2-(3-iodopiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-besyl-2-(3-iodopiperazino)phenyl]sulfamic acid methyl ester Formula: C17H20IN3O5S2 MolecularWeight: 537.39227

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)I

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)I

InChI

InChI=1S/C17H20IN3O5S2/c1-26-28(24,25)20-15-8-7-14(27(22,23)13-5-3-2-4-6-13)11-16(15)21-10-9-19-17(18)12-21/h2-8,11,17,19-20H,9-10,12H2,1H3