tert-butyl 4-[4-(phenylsulfonyl)quinolin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(phenylsulfonyl)quinolin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzenesulfonyl)-8-quinolyl]piperazine-1-carboxylate CAS Name: 4-[4-(benzenesulfonyl)-8-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(benzenesulfonyl)quinolin-8-yl]piperazine-1-carboxylate Traditional Name: 4-(4-besyl-8-quinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C(C=CN=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C(C=CN=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-24(2,3)31-23(28)27-16-14-26(15-17-27)20-11-7-10-19-21(12-13-25-22(19)20)32(29,30)18-8-5-4-6-9-18/h4-13H,14-17H2,1-3H3