ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-(methylaminosulfanylcarbonyl)-propyl-azanium

Systemtic Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-(methylaminosulfanylcarbonyl)-propyl-azanium Openeye Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-(methylaminosulfanylcarbonyl)-propyl-ammonium CAS Name: ethyl-[2-(4-methoxyphenyl)-1-oxo-3-(sulfonylamino)propyl]-[(methylaminothio)-oxomethyl]-propylammonium IUPAC Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-(methylaminosulfanylcarbonyl)-propylazanium Traditional Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-(methylaminothio)carbonyl-propyl-ammonium Formula: C17H26N3O5S2+ MolecularWeight: 416.53544

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC)(C(=O)C(CN=S(=O)=O)C1=CC=C(C=C1)OC)C(=O)SNC

Isomeric SMILES

CCC[N+](CC)(C(=O)C(CN=S(=O)=O)C1=CC=C(C=C1)OC)C(=O)SNC

InChI

InChI=1S/C17H26N3O5S2/c1-5-11-20(6-2,17(22)26-18-3)16(21)15(12-19-27(23)24)13-7-9-14(25-4)10-8-13/h7-10,15,18H,5-6,11-12H2,1-4H3/q+1