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

Systemtic Name: ethanedioic acid; 9-ethyl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]carbazole Openeye Name: 9-ethyl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]carbazole; oxalic acid CAS Name: 9-ethyl-3-[(4-ethylsulfonyl-1-piperazinyl)methyl]carbazole; oxalic acid IUPAC Name: 9-ethyl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]carbazole; oxalic acid Traditional Name: 3-[(4-esylpiperazino)methyl]-9-ethyl-carbazole; oxalic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S.C2H2O4/c1-3-24-20-8-6-5-7-18(20)19-15-17(9-10-21(19)24)16-22-11-13-23(14-12-22)27(25,26)4-2;3-1(4)2(5)6/h5-10,15H,3-4,11-14,16H2,1-2H3;(H,3,4)(H,5,6)