N-[4-[4-(5-bromanyl-2-methylsulfinyl-phenyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-[4-[4-(5-bromanyl-2-methylsulfinyl-phenyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: N-[4-[4-(5-bromo-2-methylsulfinyl-phenyl)-1-piperidyl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methyl-naphthalene-1-carboxamide; citric acid CAS Name: N-[4-[4-(5-bromo-2-methylsulfinylphenyl)-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methyl-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-[4-[4-(5-bromo-2-methylsulfinylphenyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: N-[4-[4-(5-bromo-2-methylsulfinyl-phenyl)piperidino]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methyl-1-naphthamide; citric acid Formula: C41H42BrCl2N3O9S MolecularWeight: 903.66188

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=C(C=CC(=C2)Br)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=CC(=C2)Br)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/C35H34BrCl2N3O2S.C6H8O7/c1-40(35(42)31-18-23(21-39)17-26-5-3-4-6-29(26)31)22-27(25-7-9-32(37)33(38)19-25)13-16-41-14-11-24(12-15-41)30-20-28(36)8-10-34(30)44(2)43;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-10,17-20,24,27H,11-16,22H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)