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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3O3S/c20-16-17-5-4-8-19(15-17)26(23,24)22-11-9-21(10-12-22)13-14-25-18-6-2-1-3-7-18/h1-8,15H,9-14H2