3-[6-(phenylsulfonylaminomethyl)imidazo[2,1-b][1,3]thiazol-4-ium-7-yl]propane-1-sulfonate

Systemtic Name: 3-[6-(phenylsulfonylaminomethyl)imidazo[2,1-b][1,3]thiazol-4-ium-7-yl]propane-1-sulfonate Openeye Name: 3-[6-(benzenesulfonamidomethyl)imidazo[2,1-b]thiazol-4-ium-7-yl]propane-1-sulfonate CAS Name: 3-[6-(benzenesulfonamidomethyl)-7-imidazo[2,1-b]thiazol-4-iumyl]-1-propanesulfonate IUPAC Name: 3-[6-(benzenesulfonamidomethyl)imidazo[2,1-b][1,3]thiazol-4-ium-7-yl]propane-1-sulfonate Traditional Name: 3-[6-(benzenesulfonamidomethyl)imidazo[2,1-b]thiazol-4-ium-7-yl]propane-1-sulfonate Formula: C15H17N3O5S3 MolecularWeight: 415.50758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC2=C[N+]3=C(N2CCCS(=O)(=O)[O-])SC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC2=C[N+]3=C(N2CCCS(=O)(=O)[O-])SC=C3

InChI

InChI=1S/C15H17N3O5S3/c19-25(20,21)10-4-7-18-13(12-17-8-9-24-15(17)18)11-16-26(22,23)14-5-2-1-3-6-14/h1-3,5-6,8-9,12,16H,4,7,10-11H2