N3-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzene-1,3-disulfonamide Openeye Name: N3-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzene-1,3-disulfonamide CAS Name: N3-[4-[(1-methyl-2-imidazolyl)thio]phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-[(1-methylimidazol-2-yl)thio]phenyl]benzene-1,3-disulfonamide Formula: C16H16N4O4S3 MolecularWeight: 424.51764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16N4O4S3/c1-20-10-9-18-16(20)25-13-7-5-12(6-8-13)19-27(23,24)15-4-2-3-14(11-15)26(17,21)22/h2-11,19H,1H3,(H2,17,21,22)