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

Systemtic Name: 4-[5-bromanyl-6-[(phenylmethyl)amino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[6-(benzylamino)-5-bromo-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[5-bromo-6-[(phenylmethyl)amino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[6-(benzylamino)-5-bromopyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[6-(benzylamino)-5-bromo-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C18H15BrN2O4S3 MolecularWeight: 499.4217

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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=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4S3/c1-26-18-15(8-14(27-18)17(22)23)28(24,25)12-7-13(19)16(21-10-12)20-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23)