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

Systemtic Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-methyl-propionitrile Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C#N

Isomeric SMILES

C[C@H](CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C#N

InChI

InChI=1S/C16H21N3O4S/c1-13(11-17)12-18-4-6-19(7-5-18)24(20,21)14-2-3-15-16(10-14)23-9-8-22-15/h2-3,10,13H,4-9,12H2,1H3/t13-/m0/s1