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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfonyl-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 3-(4-chlorophenyl)sulfonyl-1-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfonyl-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 3-(4-chlorophenyl)sulfonyl-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C22H26ClNO4S MolecularWeight: 435.96414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO4S/c1-28-19-10-6-17(7-11-19)21-5-3-2-4-15-24(21)22(25)14-16-29(26,27)20-12-8-18(23)9-13-20/h6-13,21H,2-5,14-16H2,1H3/t21-/m1/s1