[(E,3S)-4-methyl-1-[(phenylmethyl)sulfamoyl]pent-1-en-3-yl]azanium chloride

Systemtic Name: [(E,3S)-4-methyl-1-[(phenylmethyl)sulfamoyl]pent-1-en-3-yl]azanium chloride Openeye Name: [(E,1S)-3-(benzylsulfamoyl)-1-isopropyl-allyl]ammonium chloride CAS Name: [(E,3S)-4-methyl-1-[(phenylmethyl)sulfamoyl]pent-1-en-3-yl]ammonium chloride IUPAC Name: [(E,3S)-1-(benzylsulfamoyl)-4-methylpent-1-en-3-yl]azanium chloride Traditional Name: [(E,1S)-3-(benzylsulfamoyl)-1-isopropyl-allyl]ammonium chloride Formula: C13H21ClN2O2S MolecularWeight: 304.83604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CS(=O)(=O)NCC1=CC=CC=C1)[NH3+].[Cl-]

Isomeric SMILES

CC(C)[C@@H](/C=C/S(=O)(=O)NCC1=CC=CC=C1)[NH3+].[Cl-]

InChI

InChI=1S/C13H20N2O2S.ClH/c1-11(2)13(14)8-9-18(16,17)15-10-12-6-4-3-5-7-12;/h3-9,11,13,15H,10,14H2,1-2H3;1H/b9-8+;/t13-;/m1./s1