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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)butyramide Formula: C18H16F2N2O3S2 MolecularWeight: 410.458046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F

InChI

InChI=1S/C18H16F2N2O3S2/c19-13-9-14(20)17-15(10-13)26-18(22-17)21-16(23)7-4-8-27(24,25)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,21,22,23)