phenyl 4-azanyl-6-[butanoyl(dodecylsulfonyl)amino]-2-chloranyl-5-oxidanyl-pyridine-3-carboxylate

Systemtic Name: phenyl 4-azanyl-6-[butanoyl(dodecylsulfonyl)amino]-2-chloranyl-5-oxidanyl-pyridine-3-carboxylate Openeye Name: phenyl 4-amino-6-[butanoyl(dodecylsulfonyl)amino]-2-chloro-5-hydroxy-pyridine-3-carboxylate CAS Name: 4-amino-2-chloro-6-[dodecylsulfonyl(1-oxobutyl)amino]-5-hydroxy-3-pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-amino-6-[butanoyl(dodecylsulfonyl)amino]-2-chloro-5-hydroxypyridine-3-carboxylate Traditional Name: 4-amino-6-[butyryl(laurylsulfonyl)amino]-2-chloro-5-hydroxy-nicotinic acid phenyl ester Formula: C28H40ClN3O6S MolecularWeight: 582.1517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)N(C1=C(C(=C(C(=N1)Cl)C(=O)OC2=CC=CC=C2)N)O)C(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)N(C1=C(C(=C(C(=N1)Cl)C(=O)OC2=CC=CC=C2)N)O)C(=O)CCC

InChI

InChI=1S/C28H40ClN3O6S/c1-3-5-6-7-8-9-10-11-12-16-20-39(36,37)32(22(33)17-4-2)27-25(34)24(30)23(26(29)31-27)28(35)38-21-18-14-13-15-19-21/h13-15,18-19,34H,3-12,16-17,20H2,1-2H3,(H2,30,31)