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

Systemtic Name: [2-[(butan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[(sec-butylamino)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[(butan-2-ylamino)methyl]phenyl] ester IUPAC Name: [2-[(butan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[(sec-butylamino)methyl]phenyl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23NO4S/c1-4-14(2)19-13-15-7-5-6-8-18(15)23-24(20,21)17-11-9-16(22-3)10-12-17/h5-12,14,19H,4,13H2,1-3H3