2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: N-(4-mesylphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-28-19-11-7-17(8-12-19)21-6-4-3-5-15-24(21)16-22(25)23-18-9-13-20(14-10-18)29(2,26)27/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1