2-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonic acid

Systemtic Name: 2-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonic acid Openeye Name: 2-[(4S)-4-isobutyl-4,5-dihydrooxazol-2-yl]benzenesulfonic acid CAS Name: 2-[(4S)-4-(2-methylpropyl)-4,5-dihydrooxazol-2-yl]benzenesulfonic acid IUPAC Name: 2-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonic acid Traditional Name: 2-[(4S)-4-isobutyl-2-oxazolin-2-yl]besylic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1COC(=N1)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CC(C)C[C@H]1COC(=N1)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9(2)7-10-8-18-13(14-10)11-5-3-4-6-12(11)19(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1