3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-benzoic acid

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-benzoic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylbenzoic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylbenzoic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H17NO4S/c1-12-6-7-14(17(19)20)10-16(12)23(21,22)18-9-8-13-4-2-3-5-15(13)11-18/h2-7,10H,8-9,11H2,1H3,(H,19,20)