N-(4-chloranyl-1,3-benzothiazol-7-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-7-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-7-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(4-chloro-1,3-benzothiazol-7-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-7-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-7-yl)-3-tosyl-propionamide Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C3C(=C(C=C2)Cl)N=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C3C(=C(C=C2)Cl)N=CS3

InChI

InChI=1S/C17H15ClN2O3S2/c1-11-2-4-12(5-3-11)25(22,23)9-8-15(21)20-14-7-6-13(18)16-17(14)24-10-19-16/h2-7,10H,8-9H2,1H3,(H,20,21)