[4-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-methoxyacetyl)-propan-2-ylamino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)COC

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)COC

InChI

InChI=1S/C20H25NO6S/c1-15(2)21(20(22)14-25-3)13-16-5-7-18(8-6-16)27-28(23,24)19-11-9-17(26-4)10-12-19/h5-12,15H,13-14H2,1-4H3