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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butyramide Formula: C22H25ClFN3O4S MolecularWeight: 481.968003

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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)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H25ClFN3O4S/c1-15-3-4-16(2)20(13-15)32(30,31)27-11-9-26(10-12-27)22(29)8-7-21(28)25-17-5-6-19(24)18(23)14-17/h3-6,13-14H,7-12H2,1-2H3,(H,25,28)