N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-4-[[1-[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]triazol-4-yl]methyl]benzamide

Systemtic Name: N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-4-[[1-[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]triazol-4-yl]methyl]benzamide Openeye Name: N-[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]-4-[[1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-4,5,6,7,8,9-hexahydrocycloocta[d]triazol-4-yl]methyl]benzamide CAS Name: N-[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]ethyl]-4-[[1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]-4,5,6,7,8,9-hexahydrocycloocta[d]triazol-4-yl]methyl]benzamide IUPAC Name: N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-4-[[1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-4,5,6,7,8,9-hexahydrocycloocta[d]triazol-4-yl]methyl]benzamide Traditional Name: 4-[[1-[(2S,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-4,5,6,7,8,9-hexahydrocycloocta[d]triazol-4-yl]methyl]-N-[2-(naphthionylamino)ethyl]benzamide Formula: C40H48N8O7S MolecularWeight: 784.92352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C4=C(C(CCCCC4)CC5=CC=C(C=C5)C(=O)NCCNS(=O)(=O)C6=CC=CC7=C6C=CC=C7N(C)C)N=N3

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C4=C(C(CCCCC4)CC5=CC=C(C=C5)C(=O)NCCNS(=O)(=O)C6=CC=CC7=C6C=CC=C7N(C)C)N=N3

InChI

InChI=1S/C40H48N8O7S/c1-25-23-47(40(52)43-38(25)50)36-22-33(34(24-49)55-36)48-32-12-6-4-5-9-28(37(32)44-45-48)21-26-15-17-27(18-16-26)39(51)41-19-20-42-56(53,54)35-14-8-10-29-30(35)11-7-13-31(29)46(2)3/h7-8,10-11,13-18,23,28,33-34,36,42,49H,4-6,9,12,19-22,24H2,1-3H3,(H,41,51)(H,43,50,52)/t28?,33-,34+,36+/m0/s1