[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(4-fluoro-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C23H28FN3O3S MolecularWeight: 445.550123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C23H28FN3O3S/c1-17-6-5-7-21(18(17)2)25-12-14-26(15-13-25)23(28)19-8-9-20(24)22(16-19)31(29,30)27-10-3-4-11-27/h5-9,16H,3-4,10-15H2,1-2H3