(13bR)-5-methyl-2-(4-methylphenyl)sulfonyl-6-propan-2-yl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline

Systemtic Name: (13bR)-5-methyl-2-(4-methylphenyl)sulfonyl-6-propan-2-yl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline Openeye Name: (13bR)-6-isopropyl-5-methyl-2-(p-tolylsulfonyl)-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline CAS Name: (13bR)-5-methyl-2-(4-methylphenyl)sulfonyl-6-propan-2-yl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline IUPAC Name: (13bR)-5-methyl-2-(4-methylphenyl)sulfonyl-6-propan-2-yl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline Traditional Name: (13bR)-6-isopropyl-5-methyl-2-tosyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(N4C3C5=CC=CC=C5CC4)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(N4[C@@H]3C5=CC=CC=C5CC4)C(C)C)C

InChI

InChI=1S/C27H30N2O2S/c1-18(2)27-28(4)25-14-13-22(32(30,31)21-11-9-19(3)10-12-21)17-24(25)26-23-8-6-5-7-20(23)15-16-29(26)27/h5-14,17-18,26-27H,15-16H2,1-4H3/t26-,27?/m1/s1