methyl 5-[(4-bromophenyl)sulfonyl-butanoyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)sulfonyl-butanoyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)sulfonyl-butanoyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-(1-oxobutyl)amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)sulfonyl-butanoylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(butyryl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C21H20BrNO6S MolecularWeight: 494.3556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO6S/c1-4-5-19(24)23(30(26,27)16-9-6-14(22)7-10-16)15-8-11-18-17(12-15)20(13(2)29-18)21(25)28-3/h6-12H,4-5H2,1-3H3