1-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO4S/c1-16(23)18-7-6-8-20(15-18)27(24,25)22-14-5-3-4-9-21(22)17-10-12-19(26-2)13-11-17/h6-8,10-13,15,21H,3-5,9,14H2,1-2H3/t21-/m1/s1