N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: 3-keto-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-4H-1,4-benzoxazine-6-sulfonamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C18H16N4O4S2/c1-22-9-8-19-18(22)27-13-4-2-12(3-5-13)21-28(24,25)14-6-7-16-15(10-14)20-17(23)11-26-16/h2-10,21H,11H2,1H3,(H,20,23)