4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzenesulfonamide CAS Name: 4-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzenesulfonamide Traditional Name: 4-[2-(4-mesyl-2-nitro-anilino)ethyl]benzenesulfonamide Formula: C15H17N3O6S2 MolecularWeight: 399.44198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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