N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]propyl]-5-(2-morpholinoethoxy)benzofuran-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]butan-2-yl]-5-[2-(4-morpholinyl)ethoxy]-2-benzofurancarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-2-methyl-propyl]-5-(2-morpholinoethoxy)coumarilamide Formula: C31H39N5O8S MolecularWeight: 641.73506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)OCCN5CCOCC5

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)OCCN5CCOCC5

InChI

InChI=1S/C31H39N5O8S/c1-21(2)29(31(39)33-24-6-5-11-36(20-25(24)37)45(40,41)28-7-3-4-10-32-28)34-30(38)27-19-22-18-23(8-9-26(22)44-27)43-17-14-35-12-15-42-16-13-35/h3-4,7-10,18-19,21,24,29H,5-6,11-17,20H2,1-2H3,(H,33,39)(H,34,38)