N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-29-17-9-7-16(8-10-17)21-6-4-3-5-13-25(21)15-22(26)24-20-14-18(30(2,27)28)11-12-19(20)23/h7-12,14,21H,3-6,13,15H2,1-2H3,(H,24,26)/t21-/m1/s1