4-bromanyl-N-[(4-methylphenyl)methyl]-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(4-methylphenyl)methyl]-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-4-bromo-N-(p-tolylmethyl)benzenesulfonamide CAS Name: 4-bromo-N-[(4-methylphenyl)methyl]-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-bromo-N-[(4-methylphenyl)methyl]benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-4-bromo-N-(4-methylbenzyl)benzenesulfonamide Formula: C27H30BrN3O3S MolecularWeight: 556.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H30BrN3O3S/c1-22-7-9-24(10-8-22)20-31(35(33,34)26-13-11-25(28)12-14-26)21-27(32)30-17-15-29(16-18-30)19-23-5-3-2-4-6-23/h2-14H,15-21H2,1H3