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

Systemtic Name: (4-acetamidonaphthalen-1-yl) 2,5-dimethylbenzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C20H19NO4S/c1-13-8-9-14(2)20(12-13)26(23,24)25-19-11-10-18(21-15(3)22)16-6-4-5-7-17(16)19/h4-12H,1-3H3,(H,21,22)