[2-methoxy-5-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[isopropyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-methoxy-5-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-methoxyacetyl)-propan-2-ylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[isopropyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7S/c1-15(2)24(22(26)14-29-4)13-17-6-11-20(30-5)21(12-17)31-32(27,28)19-9-7-18(8-10-19)23-16(3)25/h6-12,15H,13-14H2,1-5H3,(H,23,25)