2-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(4-besylpiperazino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=CC=N2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=CC=N2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O5S/c22-16(7-9-21-15(17(23)24)6-8-18-21)19-10-12-20(13-11-19)27(25,26)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,23,24)