[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(2-fluorophenyl)-1-piperazinyl]-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-fluorophenyl)piperazino]-(4-methyl-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26FN3O3S/c1-17-8-9-18(16-21(17)30(28,29)26-10-4-5-11-26)22(27)25-14-12-24(13-15-25)20-7-3-2-6-19(20)23/h2-3,6-9,16H,4-5,10-15H2,1H3