(3S,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylsulfonyl-thiolane 1,1-dioxide

Systemtic Name: (3S,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylsulfonyl-thiolane 1,1-dioxide Openeye Name: (3S,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-thienylsulfonyl)thiolane 1,1-dioxide CAS Name: (3S,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylsulfonylthiolane 1,1-dioxide IUPAC Name: (3S,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylsulfonylthiolane 1,1-dioxide Traditional Name: (3S,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-thienylsulfonyl)sulfolane Formula: C17H19NO4S3 MolecularWeight: 397.53206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3CS(=O)(=O)CC3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@H]3CS(=O)(=O)C[C@@H]3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H19NO4S3/c19-24(20)11-15(16(12-24)25(21,22)17-6-3-9-23-17)18-8-7-13-4-1-2-5-14(13)10-18/h1-6,9,15-16H,7-8,10-12H2/t15-,16-/m0/s1