2-[[4-(4-bromanylbutan-2-yl)phenyl]sulfonylamino]butanedioic acid

Systemtic Name: 2-[[4-(4-bromanylbutan-2-yl)phenyl]sulfonylamino]butanedioic acid Openeye Name: 2-[[4-(3-bromo-1-methyl-propyl)phenyl]sulfonylamino]butanedioic acid CAS Name: 2-[[4-(4-bromobutan-2-yl)phenyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[4-(4-bromobutan-2-yl)phenyl]sulfonylamino]butanedioic acid Traditional Name: 2-[[4-(3-bromo-1-methyl-propyl)phenyl]sulfonylamino]succinic acid Formula: C14H18BrNO6S MolecularWeight: 408.26482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCBr)C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCBr)C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H18BrNO6S/c1-9(6-7-15)10-2-4-11(5-3-10)23(21,22)16-12(14(19)20)8-13(17)18/h2-5,9,12,16H,6-8H2,1H3,(H,17,18)(H,19,20)