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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H23FN2O3S2/c26-21-13-14-22-23(16-21)32-25(27-22)28(17-19-8-3-1-4-9-19)24(29)12-7-15-33(30,31)18-20-10-5-2-6-11-20/h1-6,8-11,13-14,16H,7,12,15,17-18H2