5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid

Systemtic Name: 5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid Openeye Name: 5-(4-isopropylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid CAS Name: 5-[(4-propan-2-yl-1-piperazinyl)sulfonyl]-2-furancarboxylic acid IUPAC Name: 5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid Traditional Name: 5-(4-isopropylpiperazino)sulfonyl-2-furoic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H18N2O5S/c1-9(2)13-5-7-14(8-6-13)20(17,18)11-4-3-10(19-11)12(15)16/h3-4,9H,5-8H2,1-2H3,(H,15,16)