ethyl 4-[2-[(5-bromanylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(5-bromanylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-bromo-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-bromo-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-bromo-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C16H17BrN2O5S2 MolecularWeight: 461.35058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C16H17BrN2O5S2/c1-3-24-16(21)11-4-6-12(7-5-11)18-14(20)10-19(2)26(22,23)15-9-8-13(17)25-15/h4-9H,3,10H2,1-2H3,(H,18,20)