7-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-2-[3-[(4-methyl-5-pyrazin-2-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-pyrazin-2-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-pyrazin-2-yl-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-(2-pyrazinyl)-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-pyrazin-2-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-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C28H37N7O2S2 MolecularWeight: 567.76908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N7O2S2/c1-33-27(26-18-29-11-12-30-26)31-32-28(33)38-16-4-13-34-14-9-22-7-8-25(17-24(22)19-34)39(36,37)35-15-10-21-5-2-3-6-23(21)20-35/h7-8,11-12,17-18,21,23H,2-6,9-10,13-16,19-20H2,1H3