[4-[[ethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[[ethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[acetyl(isobutyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[acetyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[acetyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[acetyl(isobutyl)amino]methyl]phenyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-15(2)13-23(17(4)25)14-18-5-9-20(10-6-18)28-29(26,27)21-11-7-19(8-12-21)22-16(3)24/h5-12,15H,13-14H2,1-4H3,(H,22,24)