2-[4-[[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3S)-1-oxoisochromane-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[(3S)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3S)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3S)-1-ketoisochroman-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19N3O5S/c22-14-16-6-2-4-8-19(16)30(27,28)24-11-9-23(10-12-24)20(25)18-13-15-5-1-3-7-17(15)21(26)29-18/h1-8,18H,9-13H2/t18-/m0/s1