2-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(4-tosylpiperazino)propyl]pyrazole-3-carboxylic acid Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H22N4O5S/c1-14-2-4-15(5-3-14)28(26,27)21-12-10-20(11-13-21)17(23)7-9-22-16(18(24)25)6-8-19-22/h2-6,8H,7,9-13H2,1H3,(H,24,25)