3-(1,3-benzothiazol-2-yl)-2-methyl-N-[[3-(methylsulfonylamino)phenyl]methyl]-2-phenyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[[3-(methylsulfonylamino)phenyl]methyl]-2-phenyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]-2-methyl-2-phenyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]-2-methyl-2-phenylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]-2-methyl-2-phenylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(methanesulfonamido)benzyl]-2-methyl-2-phenyl-propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NCC4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NCC4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C25H25N3O3S2/c1-25(19-10-4-3-5-11-19,16-23-27-21-13-6-7-14-22(21)32-23)24(29)26-17-18-9-8-12-20(15-18)28-33(2,30)31/h3-15,28H,16-17H2,1-2H3,(H,26,29)