N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-esyl-isonipecotamide Formula: C18H28N2O3S2 MolecularWeight: 384.55652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NCCSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NCCSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H28N2O3S2/c1-4-25(22,23)20-10-7-16(8-11-20)18(21)19-9-12-24-17-6-5-14(2)15(3)13-17/h5-6,13,16H,4,7-12H2,1-3H3,(H,19,21)