ethanedioic acid; 3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[(4-nosylpiperazino)methyl]-1H-indole; oxalic acid Formula: C21H22N4O8S MolecularWeight: 490.48638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20N4O4S.C2H2O4/c24-23(25)16-5-7-17(8-6-16)28(26,27)22-11-9-21(10-12-22)14-15-13-20-19-4-2-1-3-18(15)19;3-1(4)2(5)6/h1-8,13,20H,9-12,14H2;(H,3,4)(H,5,6)