1-cyclopropyl-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-cyclopropyl-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-cyclopropyl-2-(2-nitrophenyl)-2-[4-(p-tolylsulfonylsulfanyl)-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-[4-[(4-methylphenyl)sulfonylthio]-1-piperidinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-cyclopropyl-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-cyclopropyl-2-(2-nitrophenyl)-2-[4-(tosylthio)piperidino]ethanone Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(C3=CC=CC=C3[N+](=O)[O-])C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(C3=CC=CC=C3[N+](=O)[O-])C(=O)C4CC4

InChI

InChI=1S/C23H26N2O5S2/c1-16-6-10-19(11-7-16)32(29,30)31-18-12-14-24(15-13-18)22(23(26)17-8-9-17)20-4-2-3-5-21(20)25(27)28/h2-7,10-11,17-18,22H,8-9,12-15H2,1H3