N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(methylthio)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methylsulfanylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(methylthio)propionamide Formula: C16H24N2O3S2 MolecularWeight: 356.50336

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CSCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O3S2/c1-22-12-9-16(19)17-14-7-6-8-15(13-14)23(20,21)18-10-4-2-3-5-11-18/h6-8,13H,2-5,9-12H2,1H3,(H,17,19)