ethyl 3-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]amino]benzofuran-2-carboxylate CAS Name: 3-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]amino]coumarilic acid ethyl ester Formula: C21H21ClN2O6S2 MolecularWeight: 496.98424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H21ClN2O6S2/c1-2-29-21(26)19-18(13-7-3-4-9-15(13)30-19)23-20(25)14-8-5-6-12-24(14)32(27,28)17-11-10-16(22)31-17/h3-4,7,9-11,14H,2,5-6,8,12H2,1H3,(H,23,25)