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

Systemtic Name: butyl 5-[[4-[2-(2-phenylethanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: butyl 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-[(1-oxo-2-phenylethyl)amino]ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid butyl ester IUPAC Name: butyl 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]picolinic acid butyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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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)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O6S/c1-2-3-17-36-27(33)24-14-11-22(19-29-24)26(32)30-37(34,35)23-12-9-20(10-13-23)15-16-28-25(31)18-21-7-5-4-6-8-21/h4-14,19H,2-3,15-18H2,1H3,(H,28,31)(H,30,32)