[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[4-(2-fluorophenyl)piperazino]sulfonyl-2-methoxy-phenyl]-pyrrolidino-methanone Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCC4

InChI

InChI=1S/C22H26FN3O4S/c1-30-21-9-8-17(16-18(21)22(27)25-10-4-5-11-25)31(28,29)26-14-12-24(13-15-26)20-7-3-2-6-19(20)23/h2-3,6-9,16H,4-5,10-15H2,1H3