2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C24H28N5O5S+ MolecularWeight: 498.57462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O5S/c1-18-15-23(29(26-18)19-5-3-2-4-6-19)25-24(30)17-27-9-11-28(12-10-27)35(31,32)20-7-8-21-22(16-20)34-14-13-33-21/h2-8,15-16H,9-14,17H2,1H3,(H,25,30)/p+1