[2-[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]methyl-phenyl-(phenylsulfonyl)azanium chloride

Systemtic Name: [2-[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]methyl-phenyl-(phenylsulfonyl)azanium chloride Openeye Name: benzenesulfonyl-[[2-[(E)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]methyl]-phenyl-ammonium chloride CAS Name: benzenesulfonyl-[[2-[(E)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]phenyl]methyl]-phenylammonium chloride IUPAC Name: benzenesulfonyl-[[2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methyl]-phenylazanium chloride Traditional Name: besyl-[2-[(E)-3-keto-3-pyrrolidino-prop-1-enyl]benzyl]-phenyl-ammonium chloride Formula: C26H27ClN2O3S MolecularWeight: 483.02218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C=CC2=CC=CC=C2C[NH+](C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CCN(C1)C(=O)/C=C/C2=CC=CC=C2C[NH+](C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H26N2O3S.ClH/c29-26(27-19-9-10-20-27)18-17-22-11-7-8-12-23(22)21-28(24-13-3-1-4-14-24)32(30,31)25-15-5-2-6-16-25;/h1-8,11-18H,9-10,19-21H2;1H/b18-17+;