N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-3-tosyl-propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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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(C=C(C=C4S3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C25H25N3O3S2/c1-17-7-9-21(10-8-17)33(30,31)13-11-23(29)28(16-20-6-4-5-12-26-20)25-27-24-19(3)14-18(2)15-22(24)32-25/h4-10,12,14-15H,11,13,16H2,1-3H3