7-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Systemtic Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid Openeye Name: 7-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid CAS Name: 7-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid IUPAC Name: 7-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid Traditional Name: 7-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3C=C(C=CC3=N2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCC6=CC=CC=C6C5)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C3C=C(C=CC3=N2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCC6=CC=CC=C6C5)C(=O)O

InChI

InChI=1S/C29H31N3O5S/c33-28(31-14-11-19-5-1-2-6-21(19)18-31)20-12-15-32(16-13-20)38(36,37)22-9-10-26-24(17-22)27(29(34)35)23-7-3-4-8-25(23)30-26/h1-2,5-6,9-10,17,20H,3-4,7-8,11-16,18H2,(H,34,35)