1-cyano-3-[2-[(4-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-2-pentyl-guanidine

Systemtic Name: 1-cyano-3-[2-[(4-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-2-pentyl-guanidine Openeye Name: 1-cyano-3-[2-(4-methylanilino)-5-nitro-phenyl]sulfonyl-2-pentyl-guanidine CAS Name: 1-cyano-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonyl-2-pentylguanidine IUPAC Name: 1-cyano-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonyl-2-pentylguanidine Traditional Name: 2-amyl-1-cyano-3-[5-nitro-2-(p-toluidino)phenyl]sulfonyl-guanidine Formula: C20H24N6O4S MolecularWeight: 444.50736

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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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O4S/c1-3-4-5-12-22-20(23-14-21)25-31(29,30)19-13-17(26(27)28)10-11-18(19)24-16-8-6-15(2)7-9-16/h6-11,13,24H,3-5,12H2,1-2H3,(H2,22,23,25)