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

Systemtic Name: [3-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[isobutyl(isopropylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[2-methylpropyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[isobutyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-16(2)14-24(22(25)23-17(3)4)15-18-7-6-8-20(13-18)29-30(26,27)21-11-9-19(28-5)10-12-21/h6-13,16-17H,14-15H2,1-5H3,(H,23,25)