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

Systemtic Name: 2-[(1S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 2-[(1S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate IUPAC Name: 2-[(1S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Formula: C19H19N2O5S- MolecularWeight: 387.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3[C@@H]2CC(=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-13(22)20-15-6-8-16(9-7-15)27(25,26)21-11-10-14-4-2-3-5-17(14)18(21)12-19(23)24/h2-9,18H,10-12H2,1H3,(H,20,22)(H,23,24)/p-1/t18-/m0/s1