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

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-(3-pyrazol-1-ylpropyl)butanamide Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(3-pyrazol-1-ylpropyl)butanamide CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxo-N-[3-(1-pyrazolyl)propyl]butanamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(3-pyrazol-1-ylpropyl)butanamide Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-N-(3-pyrazol-1-ylpropyl)butyramide Formula: C22H31N5O4S MolecularWeight: 461.57764

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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)NCCCN3C=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C22H31N5O4S/c1-18-5-6-19(2)20(17-18)32(30,31)27-15-13-25(14-16-27)22(29)8-7-21(28)23-9-3-11-26-12-4-10-24-26/h4-6,10,12,17H,3,7-9,11,13-16H2,1-2H3,(H,23,28)