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

Systemtic Name: 1-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-(4-p-phenetylsulfonylpiperazino)propyl]pyrazole-4-carboxylic acid Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=C(C=N3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C19H24N4O6S/c1-2-29-16-3-5-17(6-4-16)30(27,28)23-11-9-21(10-12-23)18(24)7-8-22-14-15(13-20-22)19(25)26/h3-6,13-14H,2,7-12H2,1H3,(H,25,26)