[2-[(2-methylpropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[(2-methylpropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[(isobutylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [2-[(2-methylpropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[(isobutylamino)methyl]phenyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)CNCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H24N2O4S/c1-14(2)12-20-13-16-6-4-5-7-19(16)25-26(23,24)18-10-8-17(9-11-18)21-15(3)22/h4-11,14,20H,12-13H2,1-3H3,(H,21,22)