methyl 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[3-(2-acetamidoethyl)phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-12(22)19-9-8-13-4-3-5-15(10-13)28(25,26)21-17(23)14-6-7-16(20-11-14)18(24)27-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,22)(H,21,23)