N-(2-chlorophenyl)-3-nitro-4-[(3,4,5-trimethoxyphenyl)amino]benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-nitro-4-[(3,4,5-trimethoxyphenyl)amino]benzenesulfonamide Openeye Name: N-(2-chlorophenyl)-3-nitro-4-(3,4,5-trimethoxyanilino)benzenesulfonamide CAS Name: N-(2-chlorophenyl)-3-nitro-4-(3,4,5-trimethoxyanilino)benzenesulfonamide IUPAC Name: N-(2-chlorophenyl)-3-nitro-4-(3,4,5-trimethoxyanilino)benzenesulfonamide Traditional Name: N-(2-chlorophenyl)-3-nitro-4-(3,4,5-trimethoxyanilino)benzenesulfonamide Formula: C21H20ClN3O7S MolecularWeight: 493.9174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O7S/c1-30-19-10-13(11-20(31-2)21(19)32-3)23-17-9-8-14(12-18(17)25(26)27)33(28,29)24-16-7-5-4-6-15(16)22/h4-12,23-24H,1-3H3