N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexylsulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexylsulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexylsulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(cyclohexylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexylsulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(cyclohexylthio)acetamide Formula: C20H30N2O3S2 MolecularWeight: 410.5938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3CCCCC3

InChI

InChI=1S/C20H30N2O3S2/c23-20(16-26-18-10-4-3-5-11-18)21-17-9-8-12-19(15-17)27(24,25)22-13-6-1-2-7-14-22/h8-9,12,15,18H,1-7,10-11,13-14,16H2,(H,21,23)