N-(4-chlorophenyl)-2-[(4,5-dimethyl-2-nitro-phenyl)amino]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(4-chlorophenyl)-2-[(4,5-dimethyl-2-nitro-phenyl)amino]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-chlorophenyl)-2-(4,5-dimethyl-2-nitro-anilino)-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-chlorophenyl)-2-(4,5-dimethyl-2-nitroanilino)-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-chlorophenyl)-2-(4,5-dimethyl-2-nitroanilino)-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-chlorophenyl)-2-(4,5-dimethyl-2-nitro-anilino)-1,3-benzoxazole-5-sulfonamide Formula: C21H17ClN4O5S MolecularWeight: 472.90148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O5S/c1-12-9-17(19(26(27)28)10-13(12)2)23-21-24-18-11-16(7-8-20(18)31-21)32(29,30)25-15-5-3-14(22)4-6-15/h3-11,25H,1-2H3,(H,23,24)