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

Systemtic Name: [3-[[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[isobutyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[[(2-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[isobutyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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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)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C26H30N2O6S/c1-19(2)17-28(26(29)27-24-10-5-6-11-25(24)33-4)18-20-8-7-9-22(16-20)34-35(30,31)23-14-12-21(32-3)13-15-23/h5-16,19H,17-18H2,1-4H3,(H,27,29)