N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)butyramide Formula: C25H24FN3O3S2 MolecularWeight: 497.604763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O3S2/c1-17-8-9-18(2)24-23(17)28-25(33-24)29(16-20-6-3-4-14-27-20)22(30)7-5-15-34(31,32)21-12-10-19(26)11-13-21/h3-4,6,8-14H,5,7,15-16H2,1-2H3