4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C21H21ClFN3O3S MolecularWeight: 449.926143

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H21ClFN3O3S/c1-2-10-24-30(28,29)17-8-6-16(7-9-17)21(27)26-13-11-25(12-14-26)15-18-19(22)4-3-5-20(18)23/h1,3-9,24H,10-15H2