5-[[3-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate

Systemtic Name: 5-[[3-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate Openeye Name: 5-[[3-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate CAS Name: 5-[[[3-(2-benzamidoethyl)phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 5-[[3-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylate Traditional Name: 3-amyl-5-[[3-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]picolinate Formula: C27H28N3O6S- MolecularWeight: 522.59272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)C3=CC=CC=C3)C(=O)[O-]

InChI

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