methyl 2-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-[[[1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[1-[(5-bromo-2-thienyl)sulfonyl]isonipecotoyl]amino]-2-methyl-propionic acid methyl ester Formula: C15H21BrN2O5S2 MolecularWeight: 453.37164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H21BrN2O5S2/c1-15(2,14(20)23-3)17-13(19)10-6-8-18(9-7-10)25(21,22)12-5-4-11(16)24-12/h4-5,10H,6-9H2,1-3H3,(H,17,19)