1,3-benzothiazol-2-ylmethyl-methyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(2-mesylanilino)ethyl]-methyl-ammonium Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C18H19N3O3S2/c1-21(12-18-20-13-7-3-5-9-15(13)25-18)11-17(22)19-14-8-4-6-10-16(14)26(2,23)24/h3-10H,11-12H2,1-2H3,(H,19,22)/p+1