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

Systemtic Name: N-[(2S)-1-[[1-(3-fluorophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-[[1-(3-fluorophenyl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-1-[[1-(3-fluorophenyl)sulfonyl-3-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-[[1-(3-fluorophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[1-(3-fluorophenyl)sulfonyl-3-keto-azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H30FN3O6S MolecularWeight: 543.607003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC(=C2)F)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC(=C2)F)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H30FN3O6S/c1-17(2)13-22(30-27(34)25-14-18-7-3-4-11-24(18)37-25)26(33)29-21-10-6-12-31(16-23(21)32)38(35,36)20-9-5-8-19(28)15-20/h3-5,7-9,11,14-15,17,21-22H,6,10,12-13,16H2,1-2H3,(H,29,33)(H,30,34)/t21?,22-/m0/s1