5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-(2-benzamidoethyl)phenyl]sulfonylamino]-oxomethyl]-4-heptyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptylpyridine-2-carboxylic acid Traditional Name: 5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-picolinic acid Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H33N3O6S/c1-2-3-4-5-7-12-23-19-26(29(35)36)31-20-25(23)28(34)32-39(37,38)24-15-13-21(14-16-24)17-18-30-27(33)22-10-8-6-9-11-22/h6,8-11,13-16,19-20H,2-5,7,12,17-18H2,1H3,(H,30,33)(H,32,34)(H,35,36)