(4-phenoxyphenyl) 4-(acetamidomethyl)benzenesulfonate

Systemtic Name: (4-phenoxyphenyl) 4-(acetamidomethyl)benzenesulfonate Openeye Name: (4-phenoxyphenyl) 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid (4-phenoxyphenyl) ester IUPAC Name: (4-phenoxyphenyl) 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid (4-phenoxyphenyl) ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-16(23)22-15-17-7-13-21(14-8-17)28(24,25)27-20-11-9-19(10-12-20)26-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,22,23)