2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-mesyl-propionamide Formula: C11H13N2O3S2+ MolecularWeight: 285.36252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NS(=O)(=O)C)[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CC(C(=O)NS(=O)(=O)C)[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/C11H12N2O3S2/c1-8(11(14)12-18(2,15)16)13-7-17-10-6-4-3-5-9(10)13/h3-8H,1-2H3/p+1