N-[3-[[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[4-(tert-butylsulfamoyl)-2-nitro-anilino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[4-(tert-butylsulfamoyl)-2-nitroanilino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[4-(tert-butylsulfamoyl)-2-nitroanilino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[4-(tert-butylsulfamoyl)-2-nitro-anilino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)NC(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)NC(=O)C3CC3)[N+](=O)[O-]

InChI

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