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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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