N-[3-[4-(azetidin-1-ylmethyl)phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: N-[3-[4-(azetidin-1-ylmethyl)phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: N-[1-[[4-(azetidin-1-ylmethyl)phenyl]methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-(2-naphthylsulfonylamino)-3-phenyl-propanamide CAS Name: N-[3-[4-(1-azetidinylmethyl)phenyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-3-(2-naphthalenylsulfonylamino)-3-phenylpropanamide IUPAC Name: N-[3-[4-(azetidin-1-ylmethyl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide Traditional Name: N-[1-[4-(azetidin-1-ylmethyl)benzyl]-2-keto-2-pyrrolidino-ethyl]-3-(2-naphthylsulfonylamino)-3-phenyl-propionamide Formula: C36H40N4O4S MolecularWeight: 624.7922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(CC2=CC=C(C=C2)CN3CCC3)NC(=O)CC(C4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCN(C1)C(=O)C(CC2=CC=C(C=C2)CN3CCC3)NC(=O)CC(C4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C36H40N4O4S/c41-35(37-34(36(42)40-21-6-7-22-40)23-27-13-15-28(16-14-27)26-39-19-8-20-39)25-33(30-10-2-1-3-11-30)38-45(43,44)32-18-17-29-9-4-5-12-31(29)24-32/h1-5,9-18,24,33-34,38H,6-8,19-23,25-26H2,(H,37,41)