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

Systemtic Name: 6-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(p-tolylsulfonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(tosylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CN(CC3)C(=O)O)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CN(CC3)C(=O)O)C=C2

InChI

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