[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonyl-ethyl]azanium

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonyl-ethyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonyl-ethyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium Traditional Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonyl-ethyl]ammonium Formula: C16H18NO5S+ MolecularWeight: 336.38282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(C[NH3+])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[C@H](C[NH3+])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO5S/c1-20-12-3-5-13(6-4-12)23(18,19)16(9-17)11-2-7-14-15(8-11)22-10-21-14/h2-8,16H,9-10,17H2,1H3/p+1/t16-/m1/s1