[3-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC(C)C

Isomeric SMILES

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC(C)C

InChI

InChI=1S/C21H28N2O5S/c1-5-22-21(24)23(14-16(2)3)15-17-7-6-8-19(13-17)28-29(25,26)20-11-9-18(27-4)10-12-20/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)