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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCC(C)NC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H33N3O4S/c1-5-6-18(4)22-20(25)9-10-21(26)23-11-13-24(14-12-23)29(27,28)19-15-16(2)7-8-17(19)3/h7-8,15,18H,5-6,9-14H2,1-4H3,(H,22,25)