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

Systemtic Name: [3-[[cyclopropyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[cyclopropyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

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

InChI

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