N-[2-(azetidin-3-ylcarbonylamino)-3-(thiophen-3-ylmethylsulfonyl)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide

Systemtic Name: N-[2-(azetidin-3-ylcarbonylamino)-3-(thiophen-3-ylmethylsulfonyl)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide Openeye Name: N-[2-(azetidine-3-carbonylamino)-3-(3-thienylmethylsulfonyl)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide CAS Name: N-[2-[[3-azetidinyl(oxo)methyl]amino]-1-oxo-3-(3-thiophenylmethylsulfonyl)propyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide IUPAC Name: N-[2-(azetidine-3-carbonylamino)-3-(thiophen-3-ylmethylsulfonyl)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide Traditional Name: N-[2-(azetidine-3-carbonylamino)-3-(3-thenylsulfonyl)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide Formula: C29H30N4O6S2 MolecularWeight: 594.7017

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1)C(=O)NC(CS(=O)(=O)CC2=CSC=C2)C(=O)N(CCCC3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C(CN1)C(=O)NC(CS(=O)(=O)CC2=CSC=C2)C(=O)N(CCCC3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C29H30N4O6S2/c34-26(22-15-30-16-22)31-24(19-41(37,38)18-21-12-14-40-17-21)28(35)33(13-6-9-20-7-2-1-3-8-20)29(36)27-32-23-10-4-5-11-25(23)39-27/h1-5,7-8,10-12,14,17,22,24,30H,6,9,13,15-16,18-19H2,(H,31,34)