[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(acetamidomethyl)benzenesulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(acetamidomethyl)benzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C19H21NO5S3 MolecularWeight: 439.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C19H21NO5S3/c1-13(21)20-12-14-3-6-16(7-4-14)28(22,23)25-17-8-5-15(11-18(17)24-2)19-26-9-10-27-19/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21)