diethyl 5-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25ClN2O7S3 MolecularWeight: 549.0804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H25ClN2O7S3/c1-4-30-20(26)16-12(3)17(21(27)31-5-2)33-19(16)23-18(25)13-8-6-7-11-24(13)34(28,29)15-10-9-14(22)32-15/h9-10,13H,4-8,11H2,1-3H3,(H,23,25)