[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-1-methylpyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2-fluorophenyl)piperazino]methanone Formula: C22H29FN4O3S MolecularWeight: 448.554063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H29FN4O3S/c1-24-17-18(31(29,30)27-10-6-2-3-7-11-27)16-21(24)22(28)26-14-12-25(13-15-26)20-9-5-4-8-19(20)23/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3