1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,4-dihydro-2H-quinolin-1-yl)butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(3,4-dihydro-2H-quinolin-1-yl)butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,4-dihydro-2H-quinolin-1-yl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-(3,4-dihydro-2H-quinolin-1-yl)butane-1,4-dione Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c27-22(12-13-23(28)26-14-6-8-19-7-4-5-11-21(19)26)24-15-17-25(18-16-24)31(29,30)20-9-2-1-3-10-20/h1-5,7,9-11H,6,8,12-18H2