N-[3-(phenylmethyl)sulfonyl-2-(pyridin-3-ylcarbonylamino)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide

Systemtic Name: N-[3-(phenylmethyl)sulfonyl-2-(pyridin-3-ylcarbonylamino)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide Openeye Name: N-[3-benzylsulfonyl-2-(pyridine-3-carbonylamino)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide CAS Name: N-[1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]-3-(phenylmethyl)sulfonylpropyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide IUPAC Name: N-[3-benzylsulfonyl-2-(pyridine-3-carbonylamino)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide Traditional Name: N-(3-benzylsulfonyl-2-nicotinamido-propanoyl)-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide Formula: C33H30N4O6S MolecularWeight: 610.6795

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(C(=O)C2=NC3=CC=CC=C3O2)C(=O)C(CS(=O)(=O)CC4=CC=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C(=O)C2=NC3=CC=CC=C3O2)C(=O)C(CS(=O)(=O)CC4=CC=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C33H30N4O6S/c38-30(26-16-9-19-34-21-26)35-28(23-44(41,42)22-25-13-5-2-6-14-25)32(39)37(20-10-15-24-11-3-1-4-12-24)33(40)31-36-27-17-7-8-18-29(27)43-31/h1-9,11-14,16-19,21,28H,10,15,20,22-23H2,(H,35,38)