3-[[(2-methoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]methyl]pyridine-2-carboxylic acid

Systemtic Name: 3-[[(2-methoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]methyl]pyridine-2-carboxylic acid Openeye Name: 3-[[(2-methoxy-2-oxo-ethyl)-(p-tolylsulfonyl)amino]methyl]pyridine-2-carboxylic acid CAS Name: 3-[[(2-methoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[[(2-methoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]methyl]pyridine-2-carboxylic acid Traditional Name: 3-[[(2-keto-2-methoxy-ethyl)-tosyl-amino]methyl]picolinic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(N=CC=C2)C(=O)O)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(N=CC=C2)C(=O)O)CC(=O)OC

InChI

InChI=1S/C17H18N2O6S/c1-12-5-7-14(8-6-12)26(23,24)19(11-15(20)25-2)10-13-4-3-9-18-16(13)17(21)22/h3-9H,10-11H2,1-2H3,(H,21,22)