N-(2,5-dimethoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxo-butanamide CAS Name: N-(2,5-dimethoxyphenyl)-4-(4-methylsulfonyl-1-piperazinyl)-4-oxobutanamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-keto-4-(4-mesylpiperazino)butyramide Formula: C17H25N3O6S MolecularWeight: 399.4619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O6S/c1-25-13-4-5-15(26-2)14(12-13)18-16(21)6-7-17(22)19-8-10-20(11-9-19)27(3,23)24/h4-5,12H,6-11H2,1-3H3,(H,18,21)