5-azanyl-2-(4-ethanoylpiperazin-1-yl)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(4-ethanoylpiperazin-1-yl)benzenesulfonic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-amino-benzenesulfonic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-5-aminobenzenesulfonic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-aminobenzenesulfonic acid Traditional Name: 2-(4-acetylpiperazino)-5-amino-besylic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-9(16)14-4-6-15(7-5-14)11-3-2-10(13)8-12(11)20(17,18)19/h2-3,8H,4-7,13H2,1H3,(H,17,18,19)