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

Systemtic Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-methyl-(methylaminosulfanylcarbonyl)azanium Openeye Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-methyl-(methylaminosulfanylcarbonyl)ammonium CAS Name: ethyl-[2-(4-methoxyphenyl)-1-oxo-3-(sulfonylamino)propyl]-methyl-[(methylaminothio)-oxomethyl]ammonium IUPAC Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-methyl-(methylaminosulfanylcarbonyl)azanium Traditional Name: ethyl-[2-(4-methoxyphenyl)-3-(sulfonylamino)propanoyl]-methyl-(methylaminothio)carbonyl-ammonium Formula: C15H22N3O5S2+ MolecularWeight: 388.48228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N3O5S2/c1-5-18(3,15(20)24-16-2)14(19)13(10-17-25(21)22)11-6-8-12(23-4)9-7-11/h6-9,13,16H,5,10H2,1-4H3/q+1