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

Systemtic Name: 3-methyl-N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]-3-methyl-coumarilamide Formula: C27H32N4O6S MolecularWeight: 540.63118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C27H32N4O6S/c1-17(2)15-21(30-27(34)25-18(3)19-9-4-5-11-23(19)37-25)26(33)29-20-10-8-14-31(16-22(20)32)38(35,36)24-12-6-7-13-28-24/h4-7,9,11-13,17,20-21H,8,10,14-16H2,1-3H3,(H,29,33)(H,30,34)/t20?,21-/m0/s1