4-[2,5-dimethyl-3-[(4-methyl-3-nitro-phenyl)iminomethyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[(4-methyl-3-nitro-phenyl)iminomethyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[(4-methyl-3-nitro-phenyl)iminomethyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[(4-methyl-3-nitrophenyl)iminomethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[(4-methyl-3-nitrophenyl)iminomethyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[(4-methyl-3-nitro-phenyl)iminomethyl]pyrrol-1-yl]benzenesulfonamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-13-4-5-17(11-20(13)24(25)26)22-12-16-10-14(2)23(15(16)3)18-6-8-19(9-7-18)29(21,27)28/h4-12H,1-3H3,(H2,21,27,28)