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

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)sulfonyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]nipecotamide 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)C3CCCN(C3)S(=O)(=O)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)CC4=CC(=C(C=C4)Cl)Cl

InChI

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