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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-(4-bromophenyl)sulfanyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-[(4-bromophenyl)thio]-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-[(4-bromophenyl)thio]-5-(4-methylpiperazino)sulfonyl-benzoic acid Formula: C18H19BrN2O4S2 MolecularWeight: 471.38846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H19BrN2O4S2/c1-20-8-10-21(11-9-20)27(24,25)15-6-7-17(16(12-15)18(22)23)26-14-4-2-13(19)3-5-14/h2-7,12H,8-11H2,1H3,(H,22,23)