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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

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