[4-(phenylsulfonyl)phenyl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [4-(phenylsulfonyl)phenyl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [4-(benzenesulfonyl)phenyl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [4-(benzenesulfonyl)phenyl]methyl ester IUPAC Name: [4-(benzenesulfonyl)phenyl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid (4-besylbenzyl) ester Formula: C27H23NO4S MolecularWeight: 457.54082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23NO4S/c29-27(26-22-10-4-6-12-24(22)28-25-13-7-5-11-23(25)26)32-18-19-14-16-21(17-15-19)33(30,31)20-8-2-1-3-9-20/h1-4,6,8-10,12,14-17H,5,7,11,13,18H2