[3-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[butan-2-yl-[(tert-butylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O5S/c1-7-17(2)25(22(26)24-23(3,4)5)16-18-9-8-10-20(15-18)30-31(27,28)21-13-11-19(29-6)12-14-21/h8-15,17H,7,16H2,1-6H3,(H,24,26)