(E)-3-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-methyl-phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-methyl-phenyl]but-2-enoic acid Openeye Name: (E)-3-[4-methyl-3-[[(1S)-1-methylpropyl]sulfamoyl]phenyl]but-2-enoic acid CAS Name: (E)-3-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-methylphenyl]-2-butenoic acid IUPAC Name: (E)-3-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-methylphenyl]but-2-enoic acid Traditional Name: (E)-3-[4-methyl-3-[[(1S)-1-methylpropyl]sulfamoyl]phenyl]but-2-enoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=CC(=O)O)C)C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=C(C=CC(=C1)/C(=C/C(=O)O)/C)C

InChI

InChI=1S/C15H21NO4S/c1-5-12(4)16-21(19,20)14-9-13(7-6-10(14)2)11(3)8-15(17)18/h6-9,12,16H,5H2,1-4H3,(H,17,18)/b11-8+/t12-/m0/s1