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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C23H20FN3O3S2 MolecularWeight: 469.551603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C23H20FN3O3S2/c24-19-10-6-11-20-22(19)26-23(31-20)27(15-18-9-4-5-13-25-18)21(28)12-14-32(29,30)16-17-7-2-1-3-8-17/h1-11,13H,12,14-16H2