2-methyl-5-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C19H20F3N3O4S MolecularWeight: 443.44001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

InChI

InChI=1S/C19H20F3N3O4S/c1-13-5-7-15(25(26)27)12-18(13)30(28,29)23-16-11-14(19(20,21)22)6-8-17(16)24-9-3-2-4-10-24/h5-8,11-12,23H,2-4,9-10H2,1H3