2-[7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]heptyl]-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]heptyl]-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]heptyl]-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]heptyl]-7-(1-pyrrolidinylsulfonyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]heptyl]-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]heptyl]-7-pyrrolidinosulfonyl-3,4-dihydro-1H-isoquinoline Formula: C29H39N5O2S2 MolecularWeight: 553.78226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCCCCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H39N5O2S2/c1-32-28(25-12-6-5-7-13-25)30-31-29(32)37-21-11-4-2-3-8-17-33-20-16-24-14-15-27(22-26(24)23-33)38(35,36)34-18-9-10-19-34/h5-7,12-15,22H,2-4,8-11,16-21,23H2,1H3