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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H32N4O6S/c1-27(2,3)16-20(30-26(34)23-15-18-9-4-5-11-22(18)37-23)25(33)29-19-10-8-14-31(17-21(19)32)38(35,36)24-12-6-7-13-28-24/h4-7,9,11-13,15,19-20H,8,10,14,16-17H2,1-3H3,(H,29,33)(H,30,34)/t19-,20-/m0/s1