[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [(2R)-2-(4-methoxyphenyl)-1-azepanyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: (3-mesylphenyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-26-18-12-10-16(11-13-18)20-9-4-3-5-14-22(20)21(23)17-7-6-8-19(15-17)27(2,24)25/h6-8,10-13,15,20H,3-5,9,14H2,1-2H3/t20-/m1/s1