3-[4-[[(2S)-pentan-2-yl]sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[[(2S)-pentan-2-yl]sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[[(1S)-1-methylbutyl]sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[(2S)-pentan-2-yl]sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[[(2S)-pentan-2-yl]sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[[(1S)-1-methylbutyl]sulfamoyl]phenyl]propionate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-3-4-11(2)15-20(18,19)13-8-5-12(6-9-13)7-10-14(16)17/h5-6,8-9,11,15H,3-4,7,10H2,1-2H3,(H,16,17)/p-1/t11-/m0/s1