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

Systemtic Name: 2-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(4-p-phenetylsulfonylpiperazino)propyl]pyrazole-3-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(=CC=N3)C(=O)O

Isomeric SMILES

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

InChI

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