2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(7-chloropiperonyloyl)piperazino]sulfonylbenzonitrile Formula: C19H16ClN3O5S MolecularWeight: 433.86544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H16ClN3O5S/c20-15-9-14(10-16-18(15)28-12-27-16)19(24)22-5-7-23(8-6-22)29(25,26)17-4-2-1-3-13(17)11-21/h1-4,9-10H,5-8,12H2