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

Systemtic Name: 5-(2-ethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(2-ethyl-1-piperidyl)sulfonyl]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[(2-ethyl-1-piperidinyl)sulfonyl]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-(2-ethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-(2-ethylpiperidino)sulfonyl-3-methyl-coumarilic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O

InChI

InChI=1S/C17H21NO5S/c1-3-12-6-4-5-9-18(12)24(21,22)13-7-8-15-14(10-13)11(2)16(23-15)17(19)20/h7-8,10,12H,3-6,9H2,1-2H3,(H,19,20)