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

Systemtic Name: 1-butylsulfonyl-N-[2-(3,4-dimethylphenyl)sulfanylethyl]piperidine-4-carboxamide Openeye Name: 1-butylsulfonyl-N-[2-(3,4-dimethylphenyl)sulfanylethyl]piperidine-4-carboxamide CAS Name: 1-butylsulfonyl-N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-butylsulfonyl-N-[2-(3,4-dimethylphenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-butylsulfonyl-N-[2-[(3,4-dimethylphenyl)thio]ethyl]isonipecotamide Formula: C20H32N2O3S2 MolecularWeight: 412.60968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3S2/c1-4-5-14-27(24,25)22-11-8-18(9-12-22)20(23)21-10-13-26-19-7-6-16(2)17(3)15-19/h6-7,15,18H,4-5,8-14H2,1-3H3,(H,21,23)