7-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-2-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 7-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-2-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 7-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-2-[3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 7-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-2-[3-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 7-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-2-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 7-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-2-[3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C29H38N6O2S2 MolecularWeight: 566.78102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCC5CCCCC5C4)C6=CN=CC=C6

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCC5CCCCC5C4)C6=CN=CC=C6

InChI

InChI=1S/C29H38N6O2S2/c1-33-28(24-8-4-13-30-19-24)31-32-29(33)38-17-5-14-34-15-11-23-9-10-27(18-26(23)20-34)39(36,37)35-16-12-22-6-2-3-7-25(22)21-35/h4,8-10,13,18-19,22,25H,2-3,5-7,11-12,14-17,20-21H2,1H3