methyl 3-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-[(5-bromo-2-thienyl)sulfonyl]isonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H17BrN2O5S3 MolecularWeight: 493.41558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrN2O5S3/c1-24-16(21)14-11(6-9-25-14)18-15(20)10-4-7-19(8-5-10)27(22,23)13-3-2-12(17)26-13/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,20)