3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]sulfonylsulfolane Formula: C19H21NO6S3 MolecularWeight: 455.56814

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H21NO6S3/c21-27(22)11-9-19(14-27)28(23,24)17-6-3-7-18(12-17)29(25,26)20-10-8-15-4-1-2-5-16(15)13-20/h1-7,12,19H,8-11,13-14H2