3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H19N3O5S/c21-13-15-4-3-5-16(12-15)29(25,26)23-10-8-22(9-11-23)20(24)19-14-27-17-6-1-2-7-18(17)28-19/h1-7,12,19H,8-11,14H2/t19-/m0/s1