2-[4-[2-(3-methoxyphenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-methoxyphenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-methoxyphenyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O4S/c1-27-18-7-4-5-16(13-18)14-20(24)22-9-11-23(12-10-22)28(25,26)19-8-3-2-6-17(19)15-21/h2-8,13H,9-12,14H2,1H3