4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoic acid

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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