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

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

Click to see the large picture

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)NC(=O)O4)C

Isomeric SMILES

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

InChI

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