3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinyl-4-oxidanyl-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-methylsulfinyl-4-oxidanyl-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-(4-hydroxy-2-methylsulfinyl-phenyl)-1-piperidyl]butyl]-N-methyl-naphthalene-1-carboxamide CAS Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(4-hydroxy-2-methylsulfinylphenyl)-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-(4-hydroxy-2-methylsulfinylphenyl)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-(4-hydroxy-2-methylsulfinyl-phenyl)piperidino]butyl]-N-methyl-1-naphthamide Formula: C41H43Cl2N3O10S MolecularWeight: 840.76522

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=C(C=C(C=C2)O)S(=O)C)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=C(C=C(C=C2)O)S(=O)C)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/C35H35Cl2N3O3S.C6H8O7/c1-39(35(42)31-18-23(21-38)17-26-5-3-4-6-29(26)31)22-27(25-7-10-32(36)33(37)19-25)13-16-40-14-11-24(12-15-40)30-9-8-28(41)20-34(30)44(2)43;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-10,17-20,24,27,41H,11-16,22H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)