5-bromanyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophene-3-carboxylic acid

Systemtic Name: 5-bromanyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophene-3-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-bromo-thiophene-3-carboxylic acid CAS Name: 5-bromo-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-bromothiophene-3-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-bromo-3-thenoic acid Formula: C19H16BrNO5S2 MolecularWeight: 482.36804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(SC=C3C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(SC=C3C(=O)O)Br

InChI

InChI=1S/C19H16BrNO5S2/c1-26-14-7-9-15(10-8-14)28(24,25)21(11-13-5-3-2-4-6-13)17-16(19(22)23)12-27-18(17)20/h2-10,12H,11H2,1H3,(H,22,23)