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

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide Traditional Name: 3-(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:

CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/C11H12N2O3S2/c1-18(15,16)12-11(14)6-7-13-8-17-10-5-3-2-4-9(10)13/h2-5,8H,6-7H2,1H3/p+1