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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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