[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]azanium

Systemtic Name: [(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]azanium Openeye Name: [(S)-2,3-dihydrobenzofuran-5-yl-(4-methylsulfonylphenyl)methyl]ammonium CAS Name: [(S)-2,3-dihydrobenzofuran-5-yl-(4-methylsulfonylphenyl)methyl]ammonium IUPAC Name: [(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]azanium Traditional Name: [(S)-coumaran-5-yl-(4-mesylphenyl)methyl]ammonium Formula: C16H18NO3S+ MolecularWeight: 304.38402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCC3)[NH3+]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](C2=CC3=C(C=C2)OCC3)[NH3+]

InChI

InChI=1S/C16H17NO3S/c1-21(18,19)14-5-2-11(3-6-14)16(17)13-4-7-15-12(10-13)8-9-20-15/h2-7,10,16H,8-9,17H2,1H3/p+1/t16-/m0/s1