2-[(4-methylphenyl)amino]-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidic acid

Systemtic Name: 2-[(4-methylphenyl)amino]-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidic acid Openeye Name: 2-(4-methylanilino)-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidic acid CAS Name: 2-(4-methylanilino)-5-nitro-N-[oxo-(pentylamino)methyl]benzenesulfonimidic acid IUPAC Name: 2-(4-methylanilino)-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidic acid Traditional Name: N-(amylcarbamoyl)-5-nitro-2-(p-toluidino)benzenesulfonimidic acid Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N=S(=O)(C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCCNC(=O)N=S(=O)(C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)C)O

InChI

InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24,27,28)