N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-(4-thiophen-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-(4-thiophen-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-(2-thienylsulfanyl)-1-piperidyl]propyl]piperidine-4-carboxamide CAS Name: N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-(thiophen-2-ylthio)-1-piperidinyl]propyl]-4-piperidinecarboxamide IUPAC Name: N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-(4-thiophen-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-1-mesyl-N-[3-[4-(2-thienylthio)piperidino]propyl]isonipecotamide Formula: C25H33Cl2N3O3S3 MolecularWeight: 590.64882

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)SC3=CC=CS3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)SC3=CC=CS3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H33Cl2N3O3S3/c1-36(32,33)29-15-7-19(8-16-29)25(31)30(20-5-6-22(26)23(27)18-20)12-3-11-28-13-9-21(10-14-28)35-24-4-2-17-34-24/h2,4-6,17-19,21H,3,7-16H2,1H3