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

Systemtic Name: diethyl 3-methyl-5-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-besylnipecotoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H28N2O7S2 MolecularWeight: 508.60762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O7S2/c1-4-31-22(27)18-15(3)19(23(28)32-5-2)33-21(18)24-20(26)16-10-9-13-25(14-16)34(29,30)17-11-7-6-8-12-17/h6-8,11-12,16H,4-5,9-10,13-14H2,1-3H3,(H,24,26)