4-[[(3-ethylsulfanyl-5-nitro-phenyl)-(propylsulfamoyl)amino]methyl]pyridine

Systemtic Name: 4-[[(3-ethylsulfanyl-5-nitro-phenyl)-(propylsulfamoyl)amino]methyl]pyridine Openeye Name: 4-[[3-ethylsulfanyl-5-nitro-N-(propylsulfamoyl)anilino]methyl]pyridine CAS Name: 4-[[3-(ethylthio)-5-nitro-N-(propylsulfamoyl)anilino]methyl]pyridine IUPAC Name: 4-[[3-ethylsulfanyl-5-nitro-N-(propylsulfamoyl)anilino]methyl]pyridine Traditional Name: 4-[[3-(ethylthio)-5-nitro-N-(propylsulfamoyl)anilino]methyl]pyridine Formula: C17H22N4O4S2 MolecularWeight: 410.51098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)N(CC1=CC=NC=C1)C2=CC(=CC(=C2)SCC)[N+](=O)[O-]

Isomeric SMILES

CCCNS(=O)(=O)N(CC1=CC=NC=C1)C2=CC(=CC(=C2)SCC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-3-7-19-27(24,25)20(13-14-5-8-18-9-6-14)15-10-16(21(22)23)12-17(11-15)26-4-2/h5-6,8-12,19H,3-4,7,13H2,1-2H3