2-[4-(2-ethoxyethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-ethoxyethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-ethoxyacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2-ethoxy-1-oxoethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-ethoxyacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-ethoxyacetyl)piperazino]sulfonylbenzonitrile Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CCOCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C15H19N3O4S/c1-2-22-12-15(19)17-7-9-18(10-8-17)23(20,21)14-6-4-3-5-13(14)11-16/h3-6H,2,7-10,12H2,1H3