2-[4,5-dimethyl-2-(2-morpholin-4-ylethylsulfonylamino)-3-oxidanyl-6-oxidanylidene-7-(2-piperidin-1-ylethylsulfonylamino)xanthen-9-yl]benzoic acid

Systemtic Name: 2-[4,5-dimethyl-2-(2-morpholin-4-ylethylsulfonylamino)-3-oxidanyl-6-oxidanylidene-7-(2-piperidin-1-ylethylsulfonylamino)xanthen-9-yl]benzoic acid Openeye Name: 2-[3-hydroxy-4,5-dimethyl-2-(2-morpholinoethylsulfonylamino)-6-oxo-7-[2-(1-piperidyl)ethylsulfonylamino]xanthen-9-yl]benzoic acid CAS Name: 2-[3-hydroxy-4,5-dimethyl-2-[2-(4-morpholinyl)ethylsulfonylamino]-6-oxo-7-[2-(1-piperidinyl)ethylsulfonylamino]-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-hydroxy-4,5-dimethyl-2-(2-morpholin-4-ylethylsulfonylamino)-6-oxo-7-(2-piperidin-1-ylethylsulfonylamino)xanthen-9-yl]benzoic acid Traditional Name: 2-[3-hydroxy-6-keto-4,5-dimethyl-2-(2-morpholinoethylsulfonylamino)-7-(2-piperidinoethylsulfonylamino)xanthen-9-yl]benzoic acid Formula: C35H42N4O10S2 MolecularWeight: 742.85878

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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)CCN5CCCCC5)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)CCN5CCCCC5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C35H42N4O10S2/c1-22-31(40)28(36-50(44,45)18-14-38-10-6-3-7-11-38)20-26-30(24-8-4-5-9-25(24)35(42)43)27-21-29(32(41)23(2)34(27)49-33(22)26)37-51(46,47)19-15-39-12-16-48-17-13-39/h4-5,8-9,20-21,36-37,41H,3,6-7,10-19H2,1-2H3,(H,42,43)