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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

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