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

Systemtic Name: ethyl-(methylaminosulfanylcarbonyl)-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]-propyl-azanium Openeye Name: ethyl-(methylaminosulfanylcarbonyl)-propyl-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]ammonium CAS Name: ethyl-[(methylaminothio)-oxomethyl]-[2-(4-methylphenyl)-1-oxo-3-(sulfonylamino)propyl]-propylammonium IUPAC Name: ethyl-(methylaminosulfanylcarbonyl)-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]-propylazanium Traditional Name: ethyl-(methylaminothio)carbonyl-propyl-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]ammonium Formula: C17H26N3O4S2+ MolecularWeight: 400.53604

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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)C)C(=O)SNC

Isomeric SMILES

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

InChI

InChI=1S/C17H26N3O4S2/c1-5-11-20(6-2,17(22)25-18-4)16(21)15(12-19-26(23)24)14-9-7-13(3)8-10-14/h7-10,15,18H,5-6,11-12H2,1-4H3/q+1