N-[1-[[(3S,4S,7R)-7-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-[[(3S,4S,7R)-7-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]cyclohexyl]benzofuran-2-carboxamide CAS Name: N-[1-[[[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-oxomethyl]cyclohexyl]-2-benzofurancarboxamide IUPAC Name: N-[1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]cyclohexyl]coumarilamide Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1S(=O)(=O)C2=CC=CC=N2)O)NC(=O)C3(CCCCC3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](CN1S(=O)(=O)C2=CC=CC=N2)O)NC(=O)C3(CCCCC3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H34N4O6S/c1-19-12-13-21(22(33)18-32(19)39(36,37)25-11-5-8-16-29-25)30-27(35)28(14-6-2-7-15-28)31-26(34)24-17-20-9-3-4-10-23(20)38-24/h3-5,8-11,16-17,19,21-22,33H,2,6-7,12-15,18H2,1H3,(H,30,35)(H,31,34)/t19-,21+,22+/m1/s1