N-(3-methylsulfanylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)C)C

InChI

InChI=1S/C23H30N2O3S2/c1-15-13-16(2)18(4)22(17(15)3)30(27,28)25-11-9-19(10-12-25)23(26)24-20-7-6-8-21(14-20)29-5/h6-8,13-14,19H,9-12H2,1-5H3,(H,24,26)