N,N-diethyl-3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-4-methyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-4-methyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O4S/c1-4-27(5-2)32(30,31)18-11-10-17(3)20(16-18)23(29)26-14-12-25(13-15-26)22(28)19-8-6-7-9-21(19)24/h6-11,16H,4-5,12-15H2,1-3H3