3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(trifluoromethylsulfanyl)phenyl]piperidin-1-yl]butyl]-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(trifluoromethylsulfanyl)phenyl]piperidin-1-yl]butyl]-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(trifluoromethylsulfanyl)phenyl]-1-piperidyl]butyl]-N-methyl-naphthalene-1-carboxamide CAS Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(trifluoromethylthio)phenyl]-1-piperidinyl]butyl]-N-methyl-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(trifluoromethylsulfanyl)phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(trifluoromethylthio)phenyl]piperidino]butyl]-N-methyl-1-naphthamide Formula: C41H40Cl2F3N3O8S MolecularWeight: 862.73781

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2SC(F)(F)F)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2SC(F)(F)F)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C35H32Cl2F3N3OS.C6H8O7/c1-42(34(44)30-19-23(21-41)18-26-6-2-3-7-28(26)30)22-27(25-10-11-31(36)32(37)20-25)14-17-43-15-12-24(13-16-43)29-8-4-5-9-33(29)45-35(38,39)40;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-11,18-20,24,27H,12-17,22H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)