1-(thiolan-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 1-(thiolan-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 1-tetrahydrothiophen-3-yl-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 1-(3-thiolanyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 1-(thiolan-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesitylsulfonyl-1-tetrahydrothiophen-3-yl-3,4-dihydro-1H-isoquinoline Formula: C22H27NO2S2 MolecularWeight: 401.58528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2C4CCSC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2C4CCSC4)C

InChI

InChI=1S/C22H27NO2S2/c1-15-12-16(2)22(17(3)13-15)27(24,25)23-10-8-18-6-4-5-7-20(18)21(23)19-9-11-26-14-19/h4-7,12-13,19,21H,8-11,14H2,1-3H3