N-tert-butyl-3-nitro-4-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]benzenesulfonamide Openeye Name: N-tert-butyl-4-[[2-(isopropylsulfamoylmethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]benzenesulfonamide Traditional Name: N-tert-butyl-4-[[2-(isopropylsulfamoylmethyl)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C21H30N4O6S2 MolecularWeight: 498.6161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O6S2/c1-15(2)23-32(28,29)14-17-9-7-6-8-16(17)13-22-19-11-10-18(12-20(19)25(26)27)33(30,31)24-21(3,4)5/h6-12,15,22-24H,13-14H2,1-5H3