(3-methyl-4-propan-2-yl-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: (4-isopropyl-3-methyl-phenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C

InChI

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