5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[[4-[2-[(4-methyl-1-oxopentyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C21H25N3O6S/c1-14(2)3-10-19(25)22-12-11-15-4-7-17(8-5-15)31(29,30)24-20(26)16-6-9-18(21(27)28)23-13-16/h4-9,13-14H,3,10-12H2,1-2H3,(H,22,25)(H,24,26)(H,27,28)