4-(4-acetamido-2-methoxy-phenoxy)butyl 4-methylbenzenesulfonate

Systemtic Name: 4-(4-acetamido-2-methoxy-phenoxy)butyl 4-methylbenzenesulfonate Openeye Name: 4-(4-acetamido-2-methoxy-phenoxy)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(4-acetamido-2-methoxyphenoxy)butyl ester IUPAC Name: 4-(4-acetamido-2-methoxyphenoxy)butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(4-acetamido-2-methoxy-phenoxy)butyl ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCOC2=C(C=C(C=C2)NC(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCOC2=C(C=C(C=C2)NC(=O)C)OC

InChI

InChI=1S/C20H25NO6S/c1-15-6-9-18(10-7-15)28(23,24)27-13-5-4-12-26-19-11-8-17(21-16(2)22)14-20(19)25-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22)