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

Systemtic Name: [3-[(butan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[(sec-butylamino)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[(butan-2-ylamino)methyl]phenyl] ester IUPAC Name: [3-[(butan-2-ylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[(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=C1)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

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