3-(2-azaniumyl-1-sulfonatosulfanyl-ethyl)-1-ethanoyl-indole

Systemtic Name: 3-(2-azaniumyl-1-sulfonatosulfanyl-ethyl)-1-ethanoyl-indole Openeye Name: 1-acetyl-3-(2-azaniumyl-1-sulfonatosulfanyl-ethyl)indole CAS Name: 1-acetyl-3-[2-ammonio-1-(sulfonatothio)ethyl]indole IUPAC Name: 1-acetyl-3-(2-azaniumyl-1-sulfonatosulfanylethyl)indole Traditional Name: 1-acetyl-3-[2-ammonio-1-(sulfonatothio)ethyl]indole Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C[NH3+])SS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C[NH3+])SS(=O)(=O)[O-]

InChI

InChI=1S/C12H14N2O4S2/c1-8(15)14-7-10(9-4-2-3-5-11(9)14)12(6-13)19-20(16,17)18/h2-5,7,12H,6,13H2,1H3,(H,16,17,18)