methyl 2-[2-[(5-bromanylthiophen-2-yl)sulfonylamino]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(5-bromanylthiophen-2-yl)sulfonylamino]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[(5-bromo-2-thienyl)sulfonylamino]acetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(5-bromo-2-thiophenyl)sulfonylamino]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(5-bromo-2-thienyl)sulfonylamino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H19BrN2O5S2 MolecularWeight: 427.33436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=C(S1)Br

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=C(S1)Br

InChI

InChI=1S/C13H19BrN2O5S2/c1-8(2)6-9(13(18)21-3)16-11(17)7-15-23(19,20)12-5-4-10(14)22-12/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)