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

Systemtic Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-o-phenetylpiperazino)sulfonylbenzonitrile Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3O3S/c1-2-25-19-9-4-3-8-18(19)21-10-12-22(13-11-21)26(23,24)17-7-5-6-16(14-17)15-20/h3-9,14H,2,10-13H2,1H3