2-[4,5-dimethyl-2,7-bis(2-morpholin-4-ylethylsulfonylamino)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[4,5-dimethyl-2,7-bis(2-morpholin-4-ylethylsulfonylamino)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-hydroxy-4,5-dimethyl-2,7-bis(2-morpholinoethylsulfonylamino)-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[3-hydroxy-4,5-dimethyl-2,7-bis[2-(4-morpholinyl)ethylsulfonylamino]-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-hydroxy-4,5-dimethyl-2,7-bis(2-morpholin-4-ylethylsulfonylamino)-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-hydroxy-6-keto-4,5-dimethyl-2,7-bis(2-morpholinoethylsulfonylamino)xanthen-9-yl]benzoic acid Formula: C34H40N4O11S2 MolecularWeight: 744.8316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)NS(=O)(=O)CCN3CCOCC3)C(=C4C=C(C(=O)C(=C4O2)C)NS(=O)(=O)CCN5CCOCC5)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1O)NS(=O)(=O)CCN3CCOCC3)C(=C4C=C(C(=O)C(=C4O2)C)NS(=O)(=O)CCN5CCOCC5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C34H40N4O11S2/c1-21-30(39)27(35-50(43,44)17-11-37-7-13-47-14-8-37)19-25-29(23-5-3-4-6-24(23)34(41)42)26-20-28(31(40)22(2)33(26)49-32(21)25)36-51(45,46)18-12-38-9-15-48-16-10-38/h3-6,19-20,35-36,39H,7-18H2,1-2H3,(H,41,42)