N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(2-naphthylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-3-(2-naphthalenyl)-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-3-naphthalen-2-yl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-1-(2-naphthylmethyl)ethyl]coumarilamide Formula: C33H30N4O6S MolecularWeight: 610.6795

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1C[C@@H](C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)NC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C33H30N4O6S/c38-28-21-37(44(41,42)31-13-5-6-16-34-31)17-7-11-26(28)35-32(39)27(19-22-14-15-23-8-1-2-9-24(23)18-22)36-33(40)30-20-25-10-3-4-12-29(25)43-30/h1-6,8-10,12-16,18,20,26-27H,7,11,17,19,21H2,(H,35,39)(H,36,40)/t26-,27-/m0/s1