[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(4-fluorophenyl)-1-piperazinyl]-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(4-fluorophenyl)piperazino]-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O3S/c1-17-4-9-20(30(28,29)26-10-2-3-11-26)16-21(17)22(27)25-14-12-24(13-15-25)19-7-5-18(23)6-8-19/h4-9,16H,2-3,10-15H2,1H3