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

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)sulfonyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]isonipecotamide Formula: C27H28Cl2N2O3S2 MolecularWeight: 563.55882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H28Cl2N2O3S2/c1-19-15-20(17-35-23-5-3-2-4-6-23)8-10-26(19)30-27(32)22-11-13-31(14-12-22)36(33,34)18-21-7-9-24(28)25(29)16-21/h2-10,15-16,22H,11-14,17-18H2,1H3,(H,30,32)