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

Systemtic Name: 2-cyano-N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 2-cyano-N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 2-cyano-N-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 2-cyano-N-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]benzenesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O4S/c1-29-19-12-10-17(11-13-19)20-8-3-2-6-14-25(20)22(26)16-24-30(27,28)21-9-5-4-7-18(21)15-23/h4-5,7,9-13,20,24H,2-3,6,8,14,16H2,1H3/t20-/m1/s1