N-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]phenyl]-4-methyl-benzenesulfonamide Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C21H19N5O6S/c1-14-3-10-19(11-4-14)33(31,32)24-17-7-5-16(6-8-17)15(2)22-23-20-12-9-18(25(27)28)13-21(20)26(29)30/h3-13,23-24H,1-2H3/b22-15+