ethanedioic acid; 9-ethyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]carbazole

Systemtic Name: ethanedioic acid; 9-ethyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]carbazole Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-9-ethyl-carbazole; oxalic acid CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-9-ethylcarbazole; oxalic acid IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-9-ethylcarbazole; oxalic acid Traditional Name: 3-[(4-besylpiperazino)methyl]-9-ethyl-carbazole; oxalic acid Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27N3O2S.C2H2O4/c1-2-28-24-11-7-6-10-22(24)23-18-20(12-13-25(23)28)19-26-14-16-27(17-15-26)31(29,30)21-8-4-3-5-9-21;3-1(4)2(5)6/h3-13,18H,2,14-17,19H2,1H3;(H,3,4)(H,5,6)