5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-(2-benzamidoethyl)phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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