methyl 2,5-dimethyl-4-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonyl-furan-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonyl-furan-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-furan-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[oxo-(2-oxo-1H-pyridin-3-yl)methyl]-1-piperazinyl]sulfonyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylfuran-3-carboxylate Traditional Name: 4-[4-(2-keto-1H-pyridine-3-carbonyl)piperazino]sulfonyl-2,5-dimethyl-furan-3-carboxylic acid methyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=O)C(=O)OC

InChI

InChI=1S/C18H21N3O7S/c1-11-14(18(24)27-3)15(12(2)28-11)29(25,26)21-9-7-20(8-10-21)17(23)13-5-4-6-19-16(13)22/h4-6H,7-10H2,1-3H3,(H,19,22)