[4-(2-azanylethyl)-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-azanylethyl)-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-aminoethyl)-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-aminoethyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-aminoethyl)-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-aminoethyl)-2-methoxy-phenyl] ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CCN)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CCN)OC

InChI

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