[(1S)-2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-oxohexyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C22H32N3O5S2+ MolecularWeight: 482.63658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2)C3=CSC=C3

InChI

InChI=1S/C22H31N3O5S2/c1-25(2)19(17-9-13-31-16-17)15-23-22(26)6-4-3-5-10-24-32(27,28)18-7-8-20-21(14-18)30-12-11-29-20/h7-9,13-14,16,19,24H,3-6,10-12,15H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1