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

Systemtic Name: [4-[[cyclopropyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

COCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C20H23NO6S/c1-25-14-20(22)21(16-5-6-16)13-15-3-7-18(8-4-15)27-28(23,24)19-11-9-17(26-2)10-12-19/h3-4,7-12,16H,5-6,13-14H2,1-2H3