2-bromanyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(4-methylpiperazino)sulfonyl-benzoic acid Formula: C12H15BrN2O4S MolecularWeight: 363.2275

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H15BrN2O4S/c1-14-4-6-15(7-5-14)20(18,19)9-2-3-11(13)10(8-9)12(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)