N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C25H31FN5O3S+ MolecularWeight: 500.608743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H30FN5O3S/c1-25(2,3)22-17-23(31(28-22)20-7-5-4-6-8-20)27-24(32)18-29-13-15-30(16-14-29)35(33,34)21-11-9-19(26)10-12-21/h4-12,17H,13-16,18H2,1-3H3,(H,27,32)/p+1