N-methyl-2-[1-(phenylsulfonylamino)ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-2-[1-(phenylsulfonylamino)ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[1-(benzenesulfonamido)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-[1-(benzenesulfonamido)ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[1-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[1-(benzenesulfonamido)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1(C2=CN=CC=C2)C(=S)NC)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1CCCCC1(C2=CN=CC=C2)C(=S)NC)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-16(24-28(25,26)18-10-4-3-5-11-18)19-12-6-7-13-21(19,20(27)22-2)17-9-8-14-23-15-17/h3-5,8-11,14-16,19,24H,6-7,12-13H2,1-2H3,(H,22,27)