(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propanenitrile

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propanenitrile CAS Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]propanenitrile IUPAC Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propanenitrile Traditional Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]propionitrile Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C#N)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H19N3O4S/c1-12(11-16)17-4-6-18(7-5-17)23(19,20)13-2-3-14-15(10-13)22-9-8-21-14/h2-3,10,12H,4-9H2,1H3/t12-/m1/s1