1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-[(phenylthio)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(2,4-dichlorobenzyl)sulfonyl-N-[4-[(phenylthio)methyl]phenyl]nipecotamide Formula: C26H26Cl2N2O3S2 MolecularWeight: 549.53224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C26H26Cl2N2O3S2/c27-22-11-10-21(25(28)15-22)18-35(32,33)30-14-4-5-20(16-30)26(31)29-23-12-8-19(9-13-23)17-34-24-6-2-1-3-7-24/h1-3,6-13,15,20H,4-5,14,16-18H2,(H,29,31)