3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[4-(2-chloro-4-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=CC(=C1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

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