2-[3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C16H22N6O5S MolecularWeight: 410.44808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C16H22N6O5S/c1-12-14(11-18-19(12)2)28(26,27)21-9-7-20(8-10-21)15(23)4-6-22-13(16(24)25)3-5-17-22/h3,5,11H,4,6-10H2,1-2H3,(H,24,25)