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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-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(S3)C=C(C=C4)F

Isomeric SMILES

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

InChI

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