4-[[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[2-(butylamino)-5-(diethylsulfamoyl)anilino]methyl]-3-nitro-benzamide CAS Name: 4-[[2-(butylamino)-5-(diethylsulfamoyl)anilino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[2-(butylamino)-5-(diethylsulfamoyl)anilino]methyl]-3-nitrobenzamide Traditional Name: 4-[[2-(butylamino)-5-(diethylsulfamoyl)anilino]methyl]-3-nitro-benzamide Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O5S/c1-4-7-12-24-19-11-10-18(33(31,32)26(5-2)6-3)14-20(19)25-15-17-9-8-16(22(23)28)13-21(17)27(29)30/h8-11,13-14,24-25H,4-7,12,15H2,1-3H3,(H2,23,28)