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

Systemtic Name: (phenylmethyl) 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: benzyl 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[oxo-(3-phenylpropylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid benzyl ester Formula: C30H27N3O6S MolecularWeight: 557.61688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H27N3O6S/c34-28(31-19-7-12-22-8-3-1-4-9-22)24-13-16-26(17-14-24)40(37,38)33-29(35)25-15-18-27(32-20-25)30(36)39-21-23-10-5-2-6-11-23/h1-6,8-11,13-18,20H,7,12,19,21H2,(H,31,34)(H,33,35)