6-[2-(methylsulfonylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-[2-(methylsulfonylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-[2-(methanesulfonamido)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-[2-(methanesulfonamido)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-[2-(methanesulfonamido)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-[2-(methanesulfonamido)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)O)C=C2

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)O)C=C2

InChI

InChI=1S/C17H18N2O4S/c1-24(22,23)18-16-5-3-2-4-15(16)13-6-7-14-11-19(17(20)21)9-8-12(14)10-13/h2-7,10,18H,8-9,11H2,1H3,(H,20,21)