[5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[(cyclopropylamino)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(cyclopropylamino)methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CNC3CC3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CNC3CC3)OC

InChI

InChI=1S/C19H22N2O5S/c1-13(22)21-16-6-8-17(9-7-16)27(23,24)26-19-11-14(3-10-18(19)25-2)12-20-15-4-5-15/h3,6-11,15,20H,4-5,12H2,1-2H3,(H,21,22)