3-(4-acetamido-2-methoxy-phenoxy)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-acetamido-2-methoxy-phenoxy)propyl 4-methylbenzenesulfonate Openeye Name: 3-(4-acetamido-2-methoxy-phenoxy)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-acetamido-2-methoxyphenoxy)propyl ester IUPAC Name: 3-(4-acetamido-2-methoxyphenoxy)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-acetamido-2-methoxy-phenoxy)propyl ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=C(C=C(C=C2)NC(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=C(C=C(C=C2)NC(=O)C)OC

InChI

InChI=1S/C19H23NO6S/c1-14-5-8-17(9-6-14)27(22,23)26-12-4-11-25-18-10-7-16(20-15(2)21)13-19(18)24-3/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)