methyl 3-[(5-bromanylthiophen-2-yl)sulfonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(5-bromanylthiophen-2-yl)sulfonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(5-bromo-2-thienyl)sulfonylamino]-4-methyl-benzoate CAS Name: 3-[(5-bromo-2-thiophenyl)sulfonylamino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylbenzoate Traditional Name: 3-[(5-bromo-2-thienyl)sulfonylamino]-4-methyl-benzoic acid methyl ester Formula: C13H12BrNO4S2 MolecularWeight: 390.27268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H12BrNO4S2/c1-8-3-4-9(13(16)19-2)7-10(8)15-21(17,18)12-6-5-11(14)20-12/h3-7,15H,1-2H3