5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylate

Systemtic Name: 5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylate Openeye Name: 5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylate CAS Name: 5-[[[4-[(cyclohexylamino)-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-4-heptyl-2-pyridinecarboxylate IUPAC Name: 5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptylpyridine-2-carboxylate Traditional Name: 5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-picolinate Formula: C27H34N3O6S- MolecularWeight: 528.64036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCC3)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C27H35N3O6S/c1-2-3-4-5-7-10-20-17-24(27(33)34)28-18-23(20)26(32)30-37(35,36)22-15-13-19(14-16-22)25(31)29-21-11-8-6-9-12-21/h13-18,21H,2-12H2,1H3,(H,29,31)(H,30,32)(H,33,34)/p-1