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

Systemtic Name: N-methyl-4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[methyl-[4-(trifluoromethyl)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C16H16F3N3O4S MolecularWeight: 403.37615

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F3N3O4S/c1-20-27(25,26)13-7-8-14(15(9-13)22(23)24)21(2)10-11-3-5-12(6-4-11)16(17,18)19/h3-9,20H,10H2,1-2H3