N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-N-(2,5-dimethylphenyl)methanesulfonamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-N-(2,5-dimethylphenyl)methanesulfonamide Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)N2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N([C@@H](C)C(=O)N2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H28N2O3S/c1-14-9-10-15(2)17(13-14)20(24(4,22)23)16(3)18(21)19-11-7-5-6-8-12-19/h9-10,13,16H,5-8,11-12H2,1-4H3/t16-/m0/s1