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

Systemtic Name: 4-bromanyl-N,N-diethyl-3-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N,N-diethyl-3-[4-(m-tolyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N,N-diethyl-3-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-bromo-N,N-diethyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N,N-diethyl-3-[4-(m-tolyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O3S/c1-4-26(5-2)30(28,29)19-9-10-21(23)20(16-19)22(27)25-13-11-24(12-14-25)18-8-6-7-17(3)15-18/h6-10,15-16H,4-5,11-14H2,1-3H3