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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(2-methyl-1,3-benzothiazol-5-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=CC3=C(C=C2)SC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)SC(=N3)C

InChI

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