4-chloranyl-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 4-chloro-3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-chloro-3-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-chloro-3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-chloro-3-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O3S/c1-3-28(4-2)32(30,31)20-9-10-22(24)21(15-20)23(29)27-13-11-26(12-14-27)17-19-7-5-18(16-25)6-8-19/h5-10,15H,3-4,11-14,17H2,1-2H3