[2-(3-methylphenoxy)ethylamino] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methylphenoxy)ethylamino] 4-methylbenzenesulfonate Openeye Name: [2-(3-methylphenoxy)ethylamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methylphenoxy)ethylamino] ester IUPAC Name: [2-(3-methylphenoxy)ethylamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-methylphenoxy)ethylamino] ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONCCOC2=CC=CC(=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONCCOC2=CC=CC(=C2)C

InChI

InChI=1S/C16H19NO4S/c1-13-6-8-16(9-7-13)22(18,19)21-17-10-11-20-15-5-3-4-14(2)12-15/h3-9,12,17H,10-11H2,1-2H3