N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC(=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC(=C3C)C

InChI

InChI=1S/C19H20N2O3S2/c1-12-4-7-15(8-5-12)26(23,24)11-10-17(22)20-19-21-18-14(3)13(2)6-9-16(18)25-19/h4-9H,10-11H2,1-3H3,(H,20,21,22)