3-chloranyl-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-N-[3-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-N-[3-[4-(4-cyanobenzyl)piperazino]-3-keto-propyl]-4-fluoro-benzenesulfonamide Formula: C21H22ClFN4O3S MolecularWeight: 464.940783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H22ClFN4O3S/c22-19-13-18(5-6-20(19)23)31(29,30)25-8-7-21(28)27-11-9-26(10-12-27)15-17-3-1-16(14-24)2-4-17/h1-6,13,25H,7-12,15H2