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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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