[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO7S MolecularWeight: 443.46964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO7S/c1-14(22(25)17-13-23-18-5-3-2-4-16(17)18)30-21(24)8-11-31(26,27)15-6-7-19-20(12-15)29-10-9-28-19/h2-7,12-14,23H,8-11H2,1H3