2-methyl-5-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Formula: C15H17N3O6S2 MolecularWeight: 399.44198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H17N3O6S2/c1-11-2-5-13(18(19)20)10-15(11)26(23,24)17-9-8-12-3-6-14(7-4-12)25(16,21)22/h2-7,10,17H,8-9H2,1H3,(H2,16,21,22)