N,N-diethyl-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-(4-besylpiperazine-1-carbonyl)-N,N-diethyl-benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-3-23(4-2)31(28,29)20-12-8-9-18(17-20)21(25)22-13-15-24(16-14-22)30(26,27)19-10-6-5-7-11-19/h5-12,17H,3-4,13-16H2,1-2H3