N-[(2S)-4-methyl-1-[[(4R,6S)-6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-[[(4R,6S)-6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[(4R,6S)-6-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-[[(4R,6S)-6-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-4-methyl-1-[[(4R,6S)-6-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[(4R,6S)-3-keto-6-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H32N4O6S MolecularWeight: 540.63118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[C@H]1C[C@H](C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21-/m0/s1