4-[5-bromanyl-6-[(2-methyl-2-morpholin-4-yl-propyl)amino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[5-bromanyl-6-[(2-methyl-2-morpholin-4-yl-propyl)amino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[5-bromo-6-[(2-methyl-2-morpholino-propyl)amino]-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[5-bromo-6-[[2-methyl-2-(4-morpholinyl)propyl]amino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[5-bromo-6-[(2-methyl-2-morpholin-4-ylpropyl)amino]pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[5-bromo-6-[(2-methyl-2-morpholino-propyl)amino]-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C19H24BrN3O5S3 MolecularWeight: 550.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=N1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC)Br)N3CCOCC3

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=N1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC)Br)N3CCOCC3

InChI

InChI=1S/C19H24BrN3O5S3/c1-19(2,23-4-6-28-7-5-23)11-22-16-13(20)8-12(10-21-16)31(26,27)15-9-14(17(24)25)30-18(15)29-3/h8-10H,4-7,11H2,1-3H3,(H,21,22)(H,24,25)