N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C23H21FN2O4S2 MolecularWeight: 472.552243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C23H21FN2O4S2/c24-18-10-11-20-21(14-18)31-23(25-20)26(15-19-8-4-12-30-19)22(27)9-5-13-32(28,29)16-17-6-2-1-3-7-17/h1-4,6-8,10-12,14H,5,9,13,15-16H2