1-[(2-carboxy-3-methyl-1-benzofuran-5-yl)sulfonyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2-carboxy-3-methyl-1-benzofuran-5-yl)sulfonyl]piperidine-2-carboxylic acid Openeye Name: 1-(2-carboxy-3-methyl-benzofuran-5-yl)sulfonylpiperidine-2-carboxylic acid CAS Name: 1-[(2-carboxy-3-methyl-5-benzofuranyl)sulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-carboxy-3-methyl-1-benzofuran-5-yl)sulfonyl]piperidine-2-carboxylic acid Traditional Name: 1-(2-carboxy-3-methyl-benzofuran-5-yl)sulfonylpipecolinic acid Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)O)C(=O)O

InChI

InChI=1S/C16H17NO7S/c1-9-11-8-10(5-6-13(11)24-14(9)16(20)21)25(22,23)17-7-3-2-4-12(17)15(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)(H,20,21)