4-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 4-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidyl]butyl]-N-methyl-naphthalene-1-carboxamide citrate CAS Name: 4-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidinyl]butyl]-N-methyl-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 4-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 4-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidino]butyl]-N-methyl-1-naphthamide citrate Formula: C41H40Cl2N3O9S-3 MolecularWeight: 821.742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C5=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=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C5=CC=CC=C54)C#N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C35H35Cl2N3O2S.C6H8O7/c1-39(35(41)31-13-11-26(22-38)28-7-3-4-9-30(28)31)23-27(25-12-14-32(36)33(37)21-25)17-20-40-18-15-24(16-19-40)29-8-5-6-10-34(29)43(2)42;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-14,21,24,27H,15-20,23H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3