1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-N-methyl-2-methylidene-4-(4-methylphenyl)sulfonylsulfanyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-N-methyl-2-methylidene-4-(4-methylphenyl)sulfonylsulfanyl-piperidine-3-carboxamide Openeye Name: 1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-N-methyl-2-methylene-4-(p-tolylsulfonylsulfanyl)piperidine-3-carboxamide CAS Name: 1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-N-methyl-2-methylene-4-[(4-methylphenyl)sulfonylthio]-3-piperidinecarboxamide IUPAC Name: 1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-N-methyl-2-methylidene-4-(4-methylphenyl)sulfonylsulfanylpiperidine-3-carboxamide Traditional Name: 1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-N-methyl-2-methylene-4-(tosylthio)nipecotamide Formula: C26H29FN2O4S2 MolecularWeight: 516.647863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(C(=C)C2C(=O)NC)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(C(=C)C2C(=O)NC)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C26H29FN2O4S2/c1-16-8-12-19(13-9-16)35(32,33)34-22-14-15-29(17(2)23(22)26(31)28-3)24(25(30)18-10-11-18)20-6-4-5-7-21(20)27/h4-9,12-13,18,22-24H,2,10-11,14-15H2,1,3H3,(H,28,31)