3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FN3O4S/c1-2-9-23-30(28,29)19-8-4-6-17(15-19)21(27)25-12-10-24(11-13-25)20(26)16-5-3-7-18(22)14-16/h1,3-8,14-15,23H,9-13H2