2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]sulfonylbenzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N3O4S/c21-14-17-3-1-2-4-20(17)28(24,25)23-9-7-22(8-10-23)15-16-5-6-18-19(13-16)27-12-11-26-18/h1-6,13H,7-12,15H2