3-(azepan-1-ylcarbonyl)-N-[(2S)-butan-2-yl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[(2S)-butan-2-yl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-[(1S)-1-methylpropyl]-4-methylsulfanyl-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[(2S)-butan-2-yl]-4-(methylthio)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-[(2S)-butan-2-yl]-4-methylsulfanylbenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-[(1S)-1-methylpropyl]-4-(methylthio)benzenesulfonamide Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCCC2

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCCC2

InChI

InChI=1S/C18H28N2O3S2/c1-4-14(2)19-25(22,23)15-9-10-17(24-3)16(13-15)18(21)20-11-7-5-6-8-12-20/h9-10,13-14,19H,4-8,11-12H2,1-3H3/t14-/m0/s1