6-methoxy-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: 6-methoxy-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: 6-methoxy-N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: 6-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-2-benzofurancarboxamide IUPAC Name: 6-methoxy-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]-6-methoxy-coumarilamide Formula: C27H32N4O7S MolecularWeight: 556.63058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=C(C=C4)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=C(C=C4)OC

InChI

InChI=1S/C27H32N4O7S/c1-17(2)13-21(30-27(34)24-14-18-9-10-19(37-3)15-23(18)38-24)26(33)29-20-7-6-12-31(16-22(20)32)39(35,36)25-8-4-5-11-28-25/h4-5,8-11,14-15,17,20-21H,6-7,12-13,16H2,1-3H3,(H,29,33)(H,30,34)/t20?,21-/m0/s1