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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-3-tosyl-propionamide Formula: C24H22ClN3O3S2 MolecularWeight: 500.03278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC(=C4C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC(=C4C)Cl

InChI

InChI=1S/C24H22ClN3O3S2/c1-16-6-8-19(9-7-16)33(30,31)14-12-22(29)28(15-18-5-3-4-13-26-18)24-27-23-17(2)20(25)10-11-21(23)32-24/h3-11,13H,12,14-15H2,1-2H3