2-bromanyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[4-(m-tolyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[4-(m-tolyl)piperazino]sulfonyl-benzoic acid Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H19BrN2O4S/c1-13-3-2-4-14(11-13)20-7-9-21(10-8-20)26(24,25)15-5-6-17(19)16(12-15)18(22)23/h2-6,11-12H,7-10H2,1H3,(H,22,23)