(4-acetamidonaphthalen-1-yl) 4-chloranyl-3-methyl-benzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 4-chloranyl-3-methyl-benzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 4-chloro-3-methyl-benzenesulfonate CAS Name: 4-chloro-3-methylbenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 4-chloro-3-methylbenzenesulfonate Traditional Name: 4-chloro-3-methyl-benzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C19H16ClNO4S MolecularWeight: 389.85264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO4S/c1-12-11-14(7-8-17(12)20)26(23,24)25-19-10-9-18(21-13(2)22)15-5-3-4-6-16(15)19/h3-11H,1-2H3,(H,21,22)