2-(4-ethanoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-ethanoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C18H17NO5S/c1-12(20)13-6-8-16(9-7-13)25(23,24)19-11-15-5-3-2-4-14(15)10-17(19)18(21)22/h2-9,17H,10-11H2,1H3,(H,21,22)