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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)propionamide Formula: C17H14F2N2O3S2 MolecularWeight: 396.431466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F2N2O3S2/c18-12-8-13(19)16-14(9-12)25-17(21-16)20-15(22)6-7-26(23,24)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21,22)