sodium 2-[(4-methylphenyl)amino]-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidate

Systemtic Name: sodium 2-[(4-methylphenyl)amino]-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidate Openeye Name: sodium 2-(4-methylanilino)-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidate CAS Name: sodium 2-(4-methylanilino)-5-nitro-N-[oxo-(pentylamino)methyl]benzenesulfonimidate IUPAC Name: sodium 2-(4-methylanilino)-5-nitro-N-(pentylcarbamoyl)benzenesulfonimidate Traditional Name: sodium N-(amylcarbamoyl)-5-nitro-2-(p-toluidino)benzenesulfonimidate Formula: C19H23N4NaO5S MolecularWeight: 442.46449

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5S.Na/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);/q;+1/p-1