2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-tosylpiperazino)ethanone; oxalic acid Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O3S.C2H2O4/c1-18-6-8-21(9-7-18)29(27,28)25-14-12-24(13-15-25)22(26)17-23-11-10-19-4-2-3-5-20(19)16-23;3-1(4)2(5)6/h2-9H,10-17H2,1H3;(H,3,4)(H,5,6)