2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-mesylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17NO4S2/c1-22(18,19)15-7-4-8-16(11-15)23(20,21)17-10-9-13-5-2-3-6-14(13)12-17/h2-8,11H,9-10,12H2,1H3