propyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: propyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: propyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[2-[(3-methyl-1-oxobutyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(isovalerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid propyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CC(C)C

Isomeric SMILES

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CC(C)C

InChI

InChI=1S/C23H29N3O6S/c1-4-13-32-23(29)20-10-7-18(15-25-20)22(28)26-33(30,31)19-8-5-17(6-9-19)11-12-24-21(27)14-16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)(H,26,28)