2-chloranyl-N,N-diethyl-5-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N,N-diethyl-5-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N,N-diethyl-5-[4-(m-tolyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N,N-diethyl-5-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-N,N-diethyl-5-[4-(3-methylphenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N,N-diethyl-5-[4-(m-tolyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-4-26(5-2)30(28,29)21-16-18(9-10-20(21)23)22(27)25-13-11-24(12-14-25)19-8-6-7-17(3)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3