N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C25H23FN2O3S2 MolecularWeight: 482.590123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3S2/c1-18-9-12-21(13-10-18)33(30,31)15-5-8-24(29)28(17-19-6-3-2-4-7-19)25-27-22-14-11-20(26)16-23(22)32-25/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3