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

Systemtic Name: ethanedioic acid; 9-ethyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]carbazole Openeye Name: 9-ethyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]carbazole; oxalic acid CAS Name: 9-ethyl-3-[(4-methylsulfonyl-1-piperazinyl)methyl]carbazole; oxalic acid IUPAC Name: 9-ethyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]carbazole; oxalic acid Traditional Name: 9-ethyl-3-[(4-mesylpiperazino)methyl]carbazole; oxalic acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C41.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C41.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O2S.C2H2O4/c1-3-23-19-7-5-4-6-17(19)18-14-16(8-9-20(18)23)15-21-10-12-22(13-11-21)26(2,24)25;3-1(4)2(5)6/h4-9,14H,3,10-13,15H2,1-2H3;(H,3,4)(H,5,6)