[4-[[(2S)-1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-sulfamoyl]phenyl]methylazanium chloride

Systemtic Name: [4-[[(2S)-1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-sulfamoyl]phenyl]methylazanium chloride Openeye Name: [4-[[(1S)-1-ethoxycarbonyl-3-methyl-butyl]-methyl-sulfamoyl]phenyl]methylammonium chloride CAS Name: [4-[[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]-methylsulfamoyl]phenyl]methylammonium chloride IUPAC Name: [4-[[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]-methylsulfamoyl]phenyl]methylazanium chloride Traditional Name: [4-[[(1S)-1-carbethoxy-3-methyl-butyl]-methyl-sulfamoyl]benzyl]ammonium chloride Formula: C16H27ClN2O4S MolecularWeight: 378.91458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)C[NH3+].[Cl-]

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)C[NH3+].[Cl-]

InChI

InChI=1S/C16H26N2O4S.ClH/c1-5-22-16(19)15(10-12(2)3)18(4)23(20,21)14-8-6-13(11-17)7-9-14;/h6-9,12,15H,5,10-11,17H2,1-4H3;1H/t15-;/m0./s1