[2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[oxo-(propan-2-ylamino)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H28N2O5S MolecularWeight: 372.47962

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)NC(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)NC(C)C)OC

InChI

InChI=1S/C17H28N2O5S/c1-7-25(21,22)24-16-10-14(8-9-15(16)23-6)11-19(13(4)5)17(20)18-12(2)3/h8-10,12-13H,7,11H2,1-6H3,(H,18,20)