N-cyano-N'-[2-[(4-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-azepane-1-carboximidamide

Systemtic Name: N-cyano-N'-[2-[(4-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-azepane-1-carboximidamide Openeye Name: N-cyano-N'-[2-(4-methylanilino)-5-nitro-phenyl]sulfonyl-azepane-1-carboxamidine CAS Name: N-cyano-N'-[2-(4-methylanilino)-5-nitrophenyl]sulfonyl-1-azepanecarboximidamide IUPAC Name: N-cyano-N'-[2-(4-methylanilino)-5-nitrophenyl]sulfonylazepane-1-carboximidamide Traditional Name: N-cyano-N'-[5-nitro-2-(p-toluidino)phenyl]sulfonyl-azepane-1-carboxamidine Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N=C(NC#N)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)/N=C(\NC#N)/N3CCCCCC3

InChI

InChI=1S/C21H24N6O4S/c1-16-6-8-17(9-7-16)24-19-11-10-18(27(28)29)14-20(19)32(30,31)25-21(23-15-22)26-12-4-2-3-5-13-26/h6-11,14,24H,2-5,12-13H2,1H3,(H,23,25)