3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzofuran-2-carboxylic acid CAS Name: 3-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-(4-methylpiperidino)sulfonyl-coumarilic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O

InChI

InChI=1S/C16H19NO5S/c1-10-5-7-17(8-6-10)23(20,21)12-3-4-14-13(9-12)11(2)15(22-14)16(18)19/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)