[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-fluoro-5-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[2-fluoro-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(2-fluoro-5-morpholinosulfonyl-phenyl)methanone Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C23H28FN3O4S/c1-17-3-4-18(2)22(15-17)25-7-9-26(10-8-25)23(28)20-16-19(5-6-21(20)24)32(29,30)27-11-13-31-14-12-27/h3-6,15-16H,7-14H2,1-2H3