methyl 5-[[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylamino]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylamino]pyridine-2-carboxylate Openeye Name: methyl 5-[[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylamino]pyridine-2-carboxylate CAS Name: 5-[[4-[2-(1-oxohexylamino)ethyl]phenyl]sulfonylamino]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylamino]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(caproylamino)ethyl]phenyl]sulfonylamino]picolinic acid methyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H27N3O5S/c1-3-4-5-6-20(25)22-14-13-16-7-10-18(11-8-16)30(27,28)24-17-9-12-19(23-15-17)21(26)29-2/h7-12,15,24H,3-6,13-14H2,1-2H3,(H,22,25)