4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H28N4O3S/c1-3-27(4-2)31(29,30)22-11-9-21(10-12-22)23(28)26-15-13-25(14-16-26)18-20-7-5-19(17-24)6-8-20/h5-12H,3-4,13-16,18H2,1-2H3