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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-benzyl-3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-benzyl-3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propionamide Formula: C24H21FN2O3S2 MolecularWeight: 468.563543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=NC3=C(C=CC=C3S2)F)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=NC3=C(C=CC=C3S2)F)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H21FN2O3S2/c25-20-12-7-13-21-23(20)26-24(31-21)27(16-18-8-3-1-4-9-18)22(28)14-15-32(29,30)17-19-10-5-2-6-11-19/h1-13H,14-17H2