4-methoxy-3-piperazin-1-ylsulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-piperazin-1-ylsulfonyl-benzoic acid Openeye Name: 4-methoxy-3-piperazin-1-ylsulfonyl-benzoic acid CAS Name: 4-methoxy-3-(1-piperazinylsulfonyl)benzoic acid IUPAC Name: 4-methoxy-3-piperazin-1-ylsulfonylbenzoic acid Traditional Name: 4-methoxy-3-piperazinosulfonyl-benzoic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCNCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C12H16N2O5S/c1-19-10-3-2-9(12(15)16)8-11(10)20(17,18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3,(H,15,16)