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

Systemtic Name: 1-[4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(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=C(C=C1)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-16(23)17-9-13-20(14-10-17)27(24,25)22-15-5-3-4-6-21(22)18-7-11-19(26-2)12-8-18/h7-14,21H,3-6,15H2,1-2H3/t21-/m1/s1