N-(3-ethanoylphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanamide Openeye Name: N-(3-acetylphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxo-butanamide CAS Name: N-(3-acetylphenyl)-4-(4-methylsulfonyl-1-piperazinyl)-4-oxobutanamide IUPAC Name: N-(3-acetylphenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide Traditional Name: N-(3-acetylphenyl)-4-keto-4-(4-mesylpiperazino)butyramide Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-13(21)14-4-3-5-15(12-14)18-16(22)6-7-17(23)19-8-10-20(11-9-19)26(2,24)25/h3-5,12H,6-11H2,1-2H3,(H,18,22)