butyl 5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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