4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[4-(methylsulfamoylmethyl)benzyl]-3-nitro-benzenesulfonamide Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S2/c1-12-3-8-15(9-16(12)19(20)21)27(24,25)18-10-13-4-6-14(7-5-13)11-26(22,23)17-2/h3-9,17-18H,10-11H2,1-2H3