1-[2-(4-methylphenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-[2-(p-tolylsulfonyl)ethyl]piperazine CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(2-tosylethyl)piperazine Formula: C20H22F3N3O4S MolecularWeight: 457.46659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F3N3O4S/c1-15-2-5-17(6-3-15)31(29,30)13-12-24-8-10-25(11-9-24)18-7-4-16(20(21,22)23)14-19(18)26(27)28/h2-7,14H,8-13H2,1H3