1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 3-besyl-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-27-19-13-11-18(12-14-19)21-10-6-3-7-16-23(21)22(24)15-17-28(25,26)20-8-4-2-5-9-20/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3/t21-/m1/s1