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

Systemtic Name: 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzonitrile CAS Name: 4-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzonitrile IUPAC Name: 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzonitrile Traditional Name: 4-[(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-25-18-10-8-17(9-11-18)20-5-3-2-4-14-22(20)26(23,24)19-12-6-16(15-21)7-13-19/h6-13,20H,2-5,14H2,1H3/t20-/m1/s1