N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-besyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C22H18FN3O3S2 MolecularWeight: 455.525023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C22H18FN3O3S2/c23-16-9-10-19-20(14-16)30-22(25-19)26(15-17-6-4-5-12-24-17)21(27)11-13-31(28,29)18-7-2-1-3-8-18/h1-10,12,14H,11,13,15H2