methyl 2-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carbonyl]amino]acetate CAS Name: 2-[[[1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]acetate Traditional Name: 2-[[1-[(5-bromo-2-thienyl)sulfonyl]nipecotoyl]amino]acetic acid methyl ester Formula: C13H17BrN2O5S2 MolecularWeight: 425.31848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H17BrN2O5S2/c1-21-11(17)7-15-13(18)9-3-2-6-16(8-9)23(19,20)12-5-4-10(14)22-12/h4-5,9H,2-3,6-8H2,1H3,(H,15,18)