2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]propan-1-one Formula: C21H25ClFN3O4S MolecularWeight: 469.957303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H25ClFN3O4S/c1-12-19(15(4)27)13(2)24-20(12)21(28)14(3)25-7-9-26(10-8-25)31(29,30)16-5-6-18(23)17(22)11-16/h5-6,11,14,24H,7-10H2,1-4H3