1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-(9H-fluoren-9-yl)-4-[(5-methyl-1-phenyl-4-pyrazolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium Formula: C27H27N4O2S+ MolecularWeight: 471.59388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C27H26N4O2S/c1-20-26(19-28-31(20)21-9-3-2-4-10-21)34(32,33)30-17-15-29(16-18-30)27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h2-14,19,27H,15-18H2,1H3/p+1