N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(3,5-dimethylpiperidino)sulfonyl-benzamide Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N)C

InChI

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