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

Systemtic Name: 2-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N3O5S/c1-15-20(29-18-8-4-3-7-17(18)28-15)21(25)23-10-12-24(13-11-23)30(26,27)19-9-5-2-6-16(19)14-22/h2-9,15,20H,10-13H2,1H3