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

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-(3,5-dimethylpiperidino)sulfonyl-3-methyl-coumarilate Formula: C17H20NO5S- MolecularWeight: 350.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)[O-])C

InChI

InChI=1S/C17H21NO5S/c1-10-6-11(2)9-18(8-10)24(21,22)13-4-5-15-14(7-13)12(3)16(23-15)17(19)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20)/p-1