N-[3-cyclohexyl-1-[(7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-cyclohexyl-1-[(7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-(cyclohexylmethyl)-2-[[7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-2-oxo-ethyl]benzofuran-2-carboxamide CAS Name: N-[3-cyclohexyl-1-[[7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopropan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[3-cyclohexyl-1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-(cyclohexylmethyl)-2-keto-2-[[3-keto-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]coumarilamide Formula: C30H36N4O6S MolecularWeight: 580.69504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C30H36N4O6S/c1-20-14-15-23(25(35)19-34(20)41(38,39)28-13-7-8-16-31-28)32-29(36)24(17-21-9-3-2-4-10-21)33-30(37)27-18-22-11-5-6-12-26(22)40-27/h5-8,11-13,16,18,20-21,23-24H,2-4,9-10,14-15,17,19H2,1H3,(H,32,36)(H,33,37)