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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC=C3S2)C

InChI

InChI=1S/C18H18N2O3S2/c1-12-6-8-14(9-7-12)25(22,23)11-10-16(21)19-18-20-17-13(2)4-3-5-15(17)24-18/h3-9H,10-11H2,1-2H3,(H,19,20,21)