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

Systemtic Name: N-butyl-4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]benzenesulfonamide Openeye Name: N-butyl-4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]benzenesulfonamide CAS Name: N-butyl-4-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]benzenesulfonamide IUPAC Name: N-butyl-4-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]benzenesulfonamide Traditional Name: N-butyl-4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]benzenesulfonamide Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C18H21N5O6S/c1-3-4-11-19-30(28,29)16-8-5-14(6-9-16)13(2)20-21-17-10-7-15(22(24)25)12-18(17)23(26)27/h5-10,12,19,21H,3-4,11H2,1-2H3/b20-13+