N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-tosyl-butyramide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-18-9-12-22(13-10-18)34(31,32)16-6-8-24(30)29(17-21-7-4-5-15-27-21)26-28-25-20(3)19(2)11-14-23(25)33-26/h4-5,7,9-15H,6,8,16-17H2,1-3H3