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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)F

InChI

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