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

Systemtic Name: 2-[4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]piperazino]sulfonylbenzonitrile Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H32N4O4S/c1-34-23-12-10-21(11-13-23)24-8-3-2-6-14-29(24)20-26(31)28-15-17-30(18-16-28)35(32,33)25-9-5-4-7-22(25)19-27/h4-5,7,9-13,24H,2-3,6,8,14-18,20H2,1H3/t24-/m1/s1