3-nitro-N-propan-2-yl-4-[[4-(sulfamoylmethyl)phenyl]methylamino]benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[[4-(sulfamoylmethyl)phenyl]methylamino]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[[4-(sulfamoylmethyl)phenyl]methylamino]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[[4-(sulfamoylmethyl)phenyl]methylamino]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[[4-(sulfamoylmethyl)phenyl]methylamino]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[[4-(sulfamoylmethyl)benzyl]amino]benzenesulfonamide Formula: C17H22N4O6S2 MolecularWeight: 442.50978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6S2/c1-12(2)20-29(26,27)15-7-8-16(17(9-15)21(22)23)19-10-13-3-5-14(6-4-13)11-28(18,24)25/h3-9,12,19-20H,10-11H2,1-2H3,(H2,18,24,25)