[3-[(cyclopropylamino)methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[(cyclopropylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[(cyclopropylamino)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[(cyclopropylamino)methyl]phenyl] ester IUPAC Name: [3-[(cyclopropylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[(cyclopropylamino)methyl]phenyl] ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNC3CC3

InChI

InChI=1S/C17H19NO4S/c1-21-15-7-9-17(10-8-15)23(19,20)22-16-4-2-3-13(11-16)12-18-14-5-6-14/h2-4,7-11,14,18H,5-6,12H2,1H3