N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C24H29N3O3S2/c1-18-7-8-23(19(2)15-18)32(29,30)27-12-9-20(10-13-27)24(28)26-11-14-31-17-22-6-4-3-5-21(22)16-25/h3-8,15,20H,9-14,17H2,1-2H3,(H,26,28)