N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-4-phenyl-butan-2-yl]-4-methyl-2-(methylsulfonylamino)pentanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-4-phenyl-butan-2-yl]-4-methyl-2-(methylsulfonylamino)pentanamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-3-phenyl-propyl]-2-(methanesulfonamido)-4-methyl-pentanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-3-phenyl-propyl]-2-(methanesulfonamido)-4-methyl-valeramide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C

InChI

InChI=1S/C24H29N3O4S2/c1-16(2)15-20(27-33(3,30)31)23(29)25-19(14-13-17-9-5-4-6-10-17)22(28)24-26-18-11-7-8-12-21(18)32-24/h4-12,16,19-20,27H,13-15H2,1-3H3,(H,25,29)