2-(3-methylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-methylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(3-methylsulfonylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-mesylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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