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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)N(C)C(=O)C3=CC4=CC=CC=C4O3

InChI

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