4-[[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]amino]methyl]benzamide

Systemtic Name: 4-[[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]amino]methyl]benzamide Openeye Name: 4-[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-anilino]methyl]benzamide CAS Name: 4-[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitroanilino]methyl]benzamide IUPAC Name: 4-[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitroanilino]methyl]benzamide Traditional Name: 4-[[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-anilino]methyl]benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-14-2-8-17(9-3-14)24-31(29,30)18-10-11-19(20(12-18)25(27)28)23-13-15-4-6-16(7-5-15)21(22)26/h4-7,10-12,14,17,23-24H,2-3,8-9,13H2,1H3,(H2,22,26)