2-[(1R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: 2-[(1R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 2-[(1R)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate IUPAC Name: 2-[(1R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Formula: C15H14NO4S2- MolecularWeight: 336.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN([C@@H](C2=CC=CC=C21)CC(=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H15NO4S2/c17-14(18)10-13-12-5-2-1-4-11(12)7-8-16(13)22(19,20)15-6-3-9-21-15/h1-6,9,13H,7-8,10H2,(H,17,18)/p-1/t13-/m1/s1