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

Systemtic Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzonitrile CAS Name: 3-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzonitrile IUPAC Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzonitrile Traditional Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzonitrile Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H22N2O3S/c1-25-18-11-9-17(10-12-18)20-8-3-2-4-13-22(20)26(23,24)19-7-5-6-16(14-19)15-21/h5-7,9-12,14,20H,2-4,8,13H2,1H3/t20-/m1/s1