N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-cyano-N-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-cyano-N-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-cyano-N-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-cyano-N-methyl-benzenesulfonamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21N3O3S/c1-18(13-16(20)19-10-4-2-3-5-11-19)23(21,22)15-8-6-14(12-17)7-9-15/h6-9H,2-5,10-11,13H2,1H3