N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-3-tosyl-propionamide Formula: C23H20FN3O3S2 MolecularWeight: 469.551603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C23H20FN3O3S2/c1-16-5-8-19(9-6-16)32(29,30)13-11-22(28)27(15-18-4-2-3-12-25-18)23-26-20-10-7-17(24)14-21(20)31-23/h2-10,12,14H,11,13,15H2,1H3