2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(methylsulfonylamino)phenyl]methyl]butanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(methylsulfonylamino)phenyl]methyl]butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(methanesulfonamido)phenyl]methyl]butanamide CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(methanesulfonamido)phenyl]methyl]butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(methanesulfonamido)phenyl]methyl]butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[3-(methanesulfonamido)benzyl]butyramide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C22H27N3O3S2/c1-4-22(5-2,14-20-24-18-11-6-7-12-19(18)29-20)21(26)23-15-16-9-8-10-17(13-16)25-30(3,27)28/h6-13,25H,4-5,14-15H2,1-3H3,(H,23,26)