methyl 2-[(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylamino]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylamino]-5-bromanyl-benzoate Openeye Name: methyl 5-bromo-2-[(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylamino]benzoate CAS Name: 5-bromo-2-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]benzoate Traditional Name: 5-bromo-2-[(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylamino]benzoic acid methyl ester Formula: C14H14BrN3O5S MolecularWeight: 416.24706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H14BrN3O5S/c1-18-7-9(6-12(18)13(16)19)24(21,22)17-11-4-3-8(15)5-10(11)14(20)23-2/h3-7,17H,1-2H3,(H2,16,19)