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

Systemtic Name: 5-[[4-[2-[(4-butoxyphenyl)carbonylamino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[4-[2-[(4-butoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[[4-[2-[[(4-butoxyphenyl)-oxomethyl]amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-[2-[(4-butoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[[4-[2-[(4-butoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)O

InChI

InChI=1S/C26H27N3O7S/c1-2-3-16-36-21-9-6-19(7-10-21)24(30)27-15-14-18-4-11-22(12-5-18)37(34,35)29-25(31)20-8-13-23(26(32)33)28-17-20/h4-13,17H,2-3,14-16H2,1H3,(H,27,30)(H,29,31)(H,32,33)