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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[[(4R)-2,2,4-trideuterio-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[(4R)-2,2,4-trideuterio-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[(4R)-2,2,4-trideuterio-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[[(4R)-2,2,4-trideuterio-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-3-methyl-1-[[(4R)-2,2,4-trideuterio-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]coumarilamide Formula: C26H30N4O6S MolecularWeight: 529.623085

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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=CC=CC=C4O3

Isomeric SMILES

[2H][C@]1(CCCN(C(C1=O)([2H])[2H])S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20+/m1/s1/i16D2,19D