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

Systemtic Name: methyl 4-[2-[(5-bromanylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H15BrN2O5S2 MolecularWeight: 447.324

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H15BrN2O5S2/c1-18(25(21,22)14-8-7-12(16)24-14)9-13(19)17-11-5-3-10(4-6-11)15(20)23-2/h3-8H,9H2,1-2H3,(H,17,19)