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

Systemtic Name: [5-[[butan-2-yl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[isopropylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O5S/c1-7-14(5)20(18(21)19-13(3)4)12-15-9-10-16(24-6)17(11-15)25-26(22,23)8-2/h9-11,13-14H,7-8,12H2,1-6H3,(H,19,21)