N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c1-19-16-22(28(25-19)21-10-6-3-7-11-21)24-23(29)17-26-12-14-27(15-13-26)32(30,31)18-20-8-4-2-5-9-20/h2-11,16H,12-15,17-18H2,1H3,(H,24,29)/p+1