(4-acetamidonaphthalen-1-yl) 2,4,5-trimethylbenzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 2,4,5-trimethylbenzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)NC(=O)C)C

InChI

InChI=1S/C21H21NO4S/c1-13-11-15(3)21(12-14(13)2)27(24,25)26-20-10-9-19(22-16(4)23)17-7-5-6-8-18(17)20/h5-12H,1-4H3,(H,22,23)