4-bromanyl-N-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-5-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-5-yl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-methyl-benzenesulfonamide CAS Name: 4-bromo-N-methyl-N-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzothiophen-5-yl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]-4-bromo-N-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-methyl-benzenesulfonamide Formula: C27H26BrN3O3S2 MolecularWeight: 584.54764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H26BrN3O3S2/c1-29(36(33,34)24-10-7-22(28)8-11-24)23-9-12-25-21(17-23)18-26(35-25)27(32)31-15-13-30(14-16-31)19-20-5-3-2-4-6-20/h2-12,17-18H,13-16,19H2,1H3