6,7-dimethoxy-2-[1-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[1-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[1-[4-[(2-propan-2-yl-1-indolizinyl)sulfonyl]phenoxy]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[1-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCC2=CC(=C(C=C2C1)OC)OC)OC3=CC=C(C=C3)S(=O)(=O)C4=C5C=CC=CN5C=C4C(C)C

Isomeric SMILES

CCC(N1CCC2=CC(=C(C=C2C1)OC)OC)OC3=CC=C(C=C3)S(=O)(=O)C4=C5C=CC=CN5C=C4C(C)C

InChI

InChI=1S/C31H36N2O5S/c1-6-30(33-16-14-22-17-28(36-4)29(37-5)18-23(22)19-33)38-24-10-12-25(13-11-24)39(34,35)31-26(21(2)3)20-32-15-8-7-9-27(31)32/h7-13,15,17-18,20-21,30H,6,14,16,19H2,1-5H3