4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)-4-oxidanylidene-butanamide Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-isopentyl-4-oxo-butanamide CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(3-methylbutyl)-4-oxobutanamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)-4-oxobutanamide Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-N-isoamyl-4-keto-butyramide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCCC(C)C

InChI

InChI=1S/C21H33N3O4S/c1-16(2)9-10-22-20(25)7-8-21(26)23-11-13-24(14-12-23)29(27,28)19-15-17(3)5-6-18(19)4/h5-6,15-16H,7-14H2,1-4H3,(H,22,25)