1-(4-methylphenyl)sulfonyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-1-(p-tolylsulfonyl)piperidin-4-amine CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinamine IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine Traditional Name: [2-nitro-4-(trifluoromethyl)phenyl]-(1-tosyl-4-piperidyl)amine Formula: C19H20F3N3O4S MolecularWeight: 443.44001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20F3N3O4S/c1-13-2-5-16(6-3-13)30(28,29)24-10-8-15(9-11-24)23-17-7-4-14(19(20,21)22)12-18(17)25(26)27/h2-7,12,15,23H,8-11H2,1H3