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

Systemtic Name: 4-chloranyl-N,N-diethyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-4-chloro-N,N-diethyl-benzenesulfonamide CAS Name: 4-chloro-N,N-diethyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-4-chloro-N,N-diethyl-benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-3-26(4-2)30(28,29)19-10-11-21(23)20(16-19)22(27)25-14-12-24(13-15-25)17-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3