1-cyano-3-[2-[(3,5-dimethylphenyl)amino]-5-nitro-phenyl]sulfonyl-2-pentyl-guanidine

Systemtic Name: 1-cyano-3-[2-[(3,5-dimethylphenyl)amino]-5-nitro-phenyl]sulfonyl-2-pentyl-guanidine Openeye Name: 1-cyano-3-[2-(3,5-dimethylanilino)-5-nitro-phenyl]sulfonyl-2-pentyl-guanidine CAS Name: 1-cyano-3-[2-(3,5-dimethylanilino)-5-nitrophenyl]sulfonyl-2-pentylguanidine IUPAC Name: 1-cyano-3-[2-(3,5-dimethylanilino)-5-nitrophenyl]sulfonyl-2-pentylguanidine Traditional Name: 2-amyl-1-cyano-3-[2-(3,5-dimethylanilino)-5-nitro-phenyl]sulfonyl-guanidine Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(NC#N)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCN=C(NC#N)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H26N6O4S/c1-4-5-6-9-23-21(24-14-22)26-32(30,31)20-13-18(27(28)29)7-8-19(20)25-17-11-15(2)10-16(3)12-17/h7-8,10-13,25H,4-6,9H2,1-3H3,(H2,23,24,26)