cyclohexyl 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: cyclohexyl 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: cyclohexyl 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[oxo-(3-phenylpropylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid cyclohexyl ester Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O6S/c33-27(30-19-7-10-21-8-3-1-4-9-21)22-13-16-25(17-14-22)39(36,37)32-28(34)23-15-18-26(31-20-23)29(35)38-24-11-5-2-6-12-24/h1,3-4,8-9,13-18,20,24H,2,5-7,10-12,19H2,(H,30,33)(H,32,34)