2-(3,4-dichlorophenyl)-N-methyl-4-[4-(2-methylsulfinylphenyl)-2-piperidin-1-yl-piperidin-1-yl]butan-1-amine

Systemtic Name: 2-(3,4-dichlorophenyl)-N-methyl-4-[4-(2-methylsulfinylphenyl)-2-piperidin-1-yl-piperidin-1-yl]butan-1-amine Openeye Name: 2-(3,4-dichlorophenyl)-N-methyl-4-[4-(2-methylsulfinylphenyl)-2-(1-piperidyl)-1-piperidyl]butan-1-amine CAS Name: 2-(3,4-dichlorophenyl)-N-methyl-4-[4-(2-methylsulfinylphenyl)-2-(1-piperidinyl)-1-piperidinyl]-1-butanamine IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-4-[4-(2-methylsulfinylphenyl)-2-piperidin-1-ylpiperidin-1-yl]butan-1-amine Traditional Name: [2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)-2-piperidino-piperidino]butyl]-methyl-amine Formula: C28H39Cl2N3OS MolecularWeight: 536.59976

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CCN1CCC(CC1N2CCCCC2)C3=CC=CC=C3S(=O)C)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CNCC(CCN1CCC(CC1N2CCCCC2)C3=CC=CC=C3S(=O)C)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H39Cl2N3OS/c1-31-20-23(21-10-11-25(29)26(30)18-21)13-17-33-16-12-22(19-28(33)32-14-6-3-7-15-32)24-8-4-5-9-27(24)35(2)34/h4-5,8-11,18,22-23,28,31H,3,6-7,12-17,19-20H2,1-2H3