4-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazino]sulfonylbenzenesulfonamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H23N5O5S2/c1-16-10-11-23-26(16)18-4-2-17(3-5-18)21(27)24-12-14-25(15-13-24)33(30,31)20-8-6-19(7-9-20)32(22,28)29/h2-11H,12-15H2,1H3,(H2,22,28,29)