N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(5-cyclopropyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O3S/c30-24(18-27-13-15-28(16-14-27)33(31,32)21-9-5-2-6-10-21)25-23-17-22(19-11-12-19)26-29(23)20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2,(H,25,30)/p+1