2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylmethyl]benzonitrile CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonylmethyl]benzonitrile IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylmethyl]benzonitrile Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)CC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2S(=O)(=O)CC3=CC=CC=C3C#N

InChI

InChI=1S/C21H24N2O3S/c1-26-20-12-10-17(11-13-20)21-9-3-2-6-14-23(21)27(24,25)16-19-8-5-4-7-18(19)15-22/h4-5,7-8,10-13,21H,2-3,6,9,14,16H2,1H3/t21-/m1/s1