3-(4-methanoylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-(4-methanoylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid Openeye Name: 3-(4-formylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid CAS Name: 3-[(4-formyl-1-piperazinyl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-(4-formylpiperazin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(4-formylpiperazino)sulfonyl-4-methyl-benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C13H16N2O5S/c1-10-2-3-11(13(17)18)8-12(10)21(19,20)15-6-4-14(9-16)5-7-15/h2-3,8-9H,4-7H2,1H3,(H,17,18)