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

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]benzoic acid Formula: C20H20N2O7S MolecularWeight: 432.447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N2O7S/c23-19(14-2-1-3-15(12-14)20(24)25)21-6-8-22(9-7-21)30(26,27)16-4-5-17-18(13-16)29-11-10-28-17/h1-5,12-13H,6-11H2,(H,24,25)