(4-acetamidophenyl) 4-[(2S)-butan-2-yl]benzenesulfonate

Systemtic Name: (4-acetamidophenyl) 4-[(2S)-butan-2-yl]benzenesulfonate Openeye Name: (4-acetamidophenyl) 4-[(1S)-1-methylpropyl]benzenesulfonate CAS Name: 4-[(2S)-butan-2-yl]benzenesulfonic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-[(2S)-butan-2-yl]benzenesulfonate Traditional Name: 4-[(1S)-1-methylpropyl]benzenesulfonic acid (4-acetamidophenyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H21NO4S/c1-4-13(2)15-5-11-18(12-6-15)24(21,22)23-17-9-7-16(8-10-17)19-14(3)20/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m0/s1