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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[[(1S)-2-oxidanylidene-4-pyridin-2-ylsulfonyl-cycloheptyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[(1S)-2-oxo-4-(2-pyridylsulfonyl)cycloheptyl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[(1S)-2-oxo-4-(2-pyridinylsulfonyl)cycloheptyl]amino]pentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[[(1S)-2-oxo-4-pyridin-2-ylsulfonylcycloheptyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[(1S)-2-keto-4-(2-pyridylsulfonyl)cycloheptyl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H31N3O6S MolecularWeight: 525.61654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCC(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O6S/c1-17(2)14-21(30-27(33)24-15-18-8-3-4-11-23(18)36-24)26(32)29-20-10-7-9-19(16-22(20)31)37(34,35)25-12-5-6-13-28-25/h3-6,8,11-13,15,17,19-21H,7,9-10,14,16H2,1-2H3,(H,29,32)(H,30,33)/t19?,20-,21-/m0/s1