[4-(4-methylphenoxy)phenyl] 3-acetamido-4-methoxy-benzenesulfonate

Systemtic Name: [4-(4-methylphenoxy)phenyl] 3-acetamido-4-methoxy-benzenesulfonate Openeye Name: [4-(4-methylphenoxy)phenyl] 3-acetamido-4-methoxy-benzenesulfonate CAS Name: 3-acetamido-4-methoxybenzenesulfonic acid [4-(4-methylphenoxy)phenyl] ester IUPAC Name: [4-(4-methylphenoxy)phenyl] 3-acetamido-4-methoxybenzenesulfonate Traditional Name: 3-acetamido-4-methoxy-benzenesulfonic acid [4-(4-methylphenoxy)phenyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C

InChI

InChI=1S/C22H21NO6S/c1-15-4-6-17(7-5-15)28-18-8-10-19(11-9-18)29-30(25,26)20-12-13-22(27-3)21(14-20)23-16(2)24/h4-14H,1-3H3,(H,23,24)