N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-benzyl-N-(4,7-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=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

InChI

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