N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C

InChI

InChI=1S/C21H18N2O4S2/c1-13-3-10-20(14(2)11-13)28-16-6-4-15(5-7-16)23-29(25,26)17-8-9-18-19(12-17)27-21(24)22-18/h3-12,23H,1-2H3,(H,22,24)