[(2S)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]azanium

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]azanium Traditional Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]ammonium Formula: C13H14NO4S2+ MolecularWeight: 312.38456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[NH3+])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C[NH3+])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C13H13NO4S2/c14-7-12(20(15,16)13-2-1-5-19-13)9-3-4-10-11(6-9)18-8-17-10/h1-6,12H,7-8,14H2/p+1/t12-/m1/s1