2-[4-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-chloro-2,3-dihydrobenzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-chloro-2,3-dihydrobenzofuran-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-chlorocoumaran-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18ClN3O4S/c21-16-5-6-17-15(11-16)12-18(28-17)20(25)23-7-9-24(10-8-23)29(26,27)19-4-2-1-3-14(19)13-22/h1-6,11,18H,7-10,12H2