4-(4-bromophenyl)-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid

Systemtic Name: 4-(4-bromophenyl)-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Openeye Name: 4-(4-bromophenyl)-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid CAS Name: 4-(4-bromophenyl)-3-methyl-2-(1-piperazinylsulfonylmethyl)butanoic acid IUPAC Name: 4-(4-bromophenyl)-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Traditional Name: 4-(4-bromophenyl)-3-methyl-2-(piperazinosulfonylmethyl)butyric acid Formula: C16H23BrN2O4S MolecularWeight: 419.33382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Br)C(CS(=O)(=O)N2CCNCC2)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)Br)C(CS(=O)(=O)N2CCNCC2)C(=O)O

InChI

InChI=1S/C16H23BrN2O4S/c1-12(10-13-2-4-14(17)5-3-13)15(16(20)21)11-24(22,23)19-8-6-18-7-9-19/h2-5,12,15,18H,6-11H2,1H3,(H,20,21)