[4-[(propan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[(propan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[(isopropylamino)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-[(propan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[(isopropylamino)methyl]phenyl] ester Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21NO4S/c1-13(2)18-12-14-4-6-16(7-5-14)22-23(19,20)17-10-8-15(21-3)9-11-17/h4-11,13,18H,12H2,1-3H3