methyl 5-[[4-[(4-methylpentanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-14(2)4-11-19(25)23-12-15-5-8-17(9-6-15)31(28,29)24-20(26)16-7-10-18(22-13-16)21(27)30-3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,25)(H,24,26)