N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C25H23FN2O3S2 MolecularWeight: 482.590123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3S2/c1-17-14-22-23(15-18(17)2)32-25(27-22)28(16-19-6-4-3-5-7-19)24(29)12-13-33(30,31)21-10-8-20(26)9-11-21/h3-11,14-15H,12-13,16H2,1-2H3