4-[5-bromanyl-6-[(4-sulfamoylphenyl)methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[5-bromanyl-6-[(4-sulfamoylphenyl)methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[5-bromo-6-[(4-sulfamoylphenyl)methylamino]-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[5-bromo-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[5-bromo-6-[(4-sulfamoylphenyl)methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[5-bromo-6-[(4-sulfamoylbenzyl)amino]-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C18H16BrN3O6S4 MolecularWeight: 578.50014

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br

InChI

InChI=1S/C18H16BrN3O6S4/c1-29-18-15(7-14(30-18)17(23)24)31(25,26)12-6-13(19)16(22-9-12)21-8-10-2-4-11(5-3-10)32(20,27)28/h2-7,9H,8H2,1H3,(H,21,22)(H,23,24)(H2,20,27,28)