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

Systemtic Name: 3-methyl-2-[2-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanoylamino]-N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)butanamide Openeye Name: 3-methyl-2-[[2-[5-(2-morpholinoethoxy)benzofuran-2-yl]acetyl]amino]-N-[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]butanamide CAS Name: 3-methyl-2-[[2-[5-[2-(4-morpholinyl)ethoxy]-2-benzofuranyl]-1-oxoethyl]amino]-N-[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]butanamide IUPAC Name: 3-methyl-2-[[2-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]acetyl]amino]-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)butanamide Traditional Name: N-[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]-3-methyl-2-[[2-[5-(2-morpholinoethoxy)benzofuran-2-yl]acetyl]amino]butyramide Formula: C32H41N5O8S MolecularWeight: 655.76164

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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)CC3=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)CC3=CC4=C(O3)C=CC(=C4)OCCN5CCOCC5

InChI

InChI=1S/C32H41N5O8S/c1-22(2)31(32(40)34-26-6-5-11-37(21-27(26)38)46(41,42)30-7-3-4-10-33-30)35-29(39)20-25-19-23-18-24(8-9-28(23)45-25)44-17-14-36-12-15-43-16-13-36/h3-4,7-10,18-19,22,26,31H,5-6,11-17,20-21H2,1-2H3,(H,34,40)(H,35,39)