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

Systemtic Name: ethanedioic acid; 9-ethyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]carbazole Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-9-ethyl-carbazole; oxalic acid CAS Name: 9-ethyl-3-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]carbazole; oxalic acid IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-9-ethylcarbazole; oxalic acid Traditional Name: 3-[(4-benzylsulfonylpiperazino)methyl]-9-ethyl-carbazole; oxalic acid Formula: C28H31N3O6S MolecularWeight: 537.62724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)S(=O)(=O)CC4=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)CC4=CC=CC=C4)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N3O2S.C2H2O4/c1-2-29-25-11-7-6-10-23(25)24-18-22(12-13-26(24)29)19-27-14-16-28(17-15-27)32(30,31)20-21-8-4-3-5-9-21;3-1(4)2(5)6/h3-13,18H,2,14-17,19-20H2,1H3;(H,3,4)(H,5,6)