1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[[4-(1-pyrazolyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(4-pyrazol-1-ylbenzyl)piperazin-4-ium Formula: C18H20ClN4O2S2+ MolecularWeight: 423.96

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H19ClN4O2S2/c19-17-6-7-18(26-17)27(24,25)22-12-10-21(11-13-22)14-15-2-4-16(5-3-15)23-9-1-8-20-23/h1-9H,10-14H2/p+1