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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-keto-4H-1,4-benzoxazine-6-sulfonamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4)C

InChI

InChI=1S/C22H20N2O4S2/c1-14-3-6-18(11-15(14)2)29-17-7-4-16(5-8-17)24-30(26,27)19-9-10-21-20(12-19)23-22(25)13-28-21/h3-12,24H,13H2,1-2H3,(H,23,25)