2-bromanyl-5-(3,5-dimethylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(3,5-dimethylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-(3,5-dimethylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(3,5-dimethyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(3,5-dimethylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3,5-dimethylpiperazino)sulfonyl-benzoic acid Formula: C13H17BrN2O4S MolecularWeight: 377.25408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1CN(CC(N1)C)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H17BrN2O4S/c1-8-6-16(7-9(2)15-8)21(19,20)10-3-4-12(14)11(5-10)13(17)18/h3-5,8-9,15H,6-7H2,1-2H3,(H,17,18)