4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-ethyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H25N3O4S2/c1-4-16-7-12-19-20(14-16)30-22(23-19)24-21(27)6-5-13-25(3)31(28,29)18-10-8-17(9-11-18)15(2)26/h7-12,14H,4-6,13H2,1-3H3,(H,23,24,27)