N-[1-[[1-(2-fluorophenyl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-[[1-(2-fluorophenyl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[1-(2-fluorophenyl)sulfonyl-3-hydroxy-azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[1-[[1-(2-fluorophenyl)sulfonyl-3-hydroxy-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[1-[[1-(2-fluorophenyl)sulfonyl-3-hydroxyazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[1-(2-fluorophenyl)sulfonyl-3-hydroxy-azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H32FN3O6S MolecularWeight: 545.622883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=C2F)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=C2F)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H32FN3O6S/c1-17(2)14-21(30-27(34)24-15-18-8-3-5-11-23(18)37-24)26(33)29-20-10-7-13-31(16-22(20)32)38(35,36)25-12-6-4-9-19(25)28/h3-6,8-9,11-12,15,17,20-22,32H,7,10,13-14,16H2,1-2H3,(H,29,33)(H,30,34)