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

Systemtic Name: methyl 4-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[(5-bromo-2-thienyl)sulfonyl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H19BrN2O5S2/c1-26-18(23)13-2-4-14(5-3-13)20-17(22)12-8-10-21(11-9-12)28(24,25)16-7-6-15(19)27-16/h2-7,12H,8-11H2,1H3,(H,20,22)