dimethyl-[(1S)-2-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C22H29N4O5S2+ MolecularWeight: 493.61946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O)C4=CSC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O)C4=CSC=C4

InChI

InChI=1S/C22H28N4O5S2/c1-24(2)19(16-8-12-32-15-16)14-23-21(27)7-11-26-18-6-5-17(13-20(18)31-22(26)28)33(29,30)25-9-3-4-10-25/h5-6,8,12-13,15,19H,3-4,7,9-11,14H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1