2-[(1S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: 2-[(1S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 2-[(1S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate IUPAC Name: 2-[(1S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Formula: C19H20NO5S- MolecularWeight: 374.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3[C@@H]2CC(=O)[O-]

InChI

InChI=1S/C19H21NO5S/c1-2-25-15-7-9-16(10-8-15)26(23,24)20-12-11-14-5-3-4-6-17(14)18(20)13-19(21)22/h3-10,18H,2,11-13H2,1H3,(H,21,22)/p-1/t18-/m0/s1