3-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: 3-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate Openeye Name: 3-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzofuran-2-carboxylate CAS Name: 3-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]-2-benzofurancarboxylate IUPAC Name: 3-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-(2-methylpiperidino)sulfonyl-coumarilate Formula: C16H18NO5S- MolecularWeight: 336.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

InChI

InChI=1S/C16H19NO5S/c1-10-5-3-4-8-17(10)23(20,21)12-6-7-14-13(9-12)11(2)15(22-14)16(18)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)/p-1