3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-ethyl-naphthalene-1-carboxamide

Systemtic Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-ethyl-naphthalene-1-carboxamide Openeye Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidyl]butyl]-N-ethyl-naphthalene-1-carboxamide CAS Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidinyl]butyl]-N-ethyl-1-naphthalenecarboxamide IUPAC Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-ethylnaphthalene-1-carboxamide Traditional Name: 3-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidino]butyl]-N-ethyl-1-naphthamide Formula: C36H37Cl2N3O2S MolecularWeight: 646.66888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N

Isomeric SMILES

CCN(CC(CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C36H37Cl2N3O2S/c1-3-41(36(42)32-21-25(23-39)20-28-8-4-5-9-30(28)32)24-29(27-12-13-33(37)34(38)22-27)16-19-40-17-14-26(15-18-40)31-10-6-7-11-35(31)44(2)43/h4-13,20-22,26,29H,3,14-19,24H2,1-2H3