[2-methoxy-4-[[(phenylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-methoxy-4-[[(phenylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[(benzylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-methoxy-4-[[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[(benzylamino)methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[(benzylamino)methyl]-2-methoxy-phenyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CNCC3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CNCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H24N2O5S/c1-17(26)25-20-9-11-21(12-10-20)31(27,28)30-22-13-8-19(14-23(22)29-2)16-24-15-18-6-4-3-5-7-18/h3-14,24H,15-16H2,1-2H3,(H,25,26)