3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclohexyl-propanamide

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclohexyl-propanamide Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: 3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-cyclohexylpropanamide IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclohexylpropanamide Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-cyclohexyl-propionamide Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3CCCCC3

InChI

InChI=1S/C20H31N3O3S2/c24-19(22-17-8-4-3-5-9-17)12-15-27-20-11-10-18(16-21-20)28(25,26)23-13-6-1-2-7-14-23/h10-11,16-17H,1-9,12-15H2,(H,22,24)