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

Systemtic Name: 4-bromanyl-N-[2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-5-yl]-N-methyl-benzenesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1-benzothiophen-5-yl]-N-methylbenzenesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]-4-bromo-N-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-methyl-benzenesulfonamide Formula: C33H30BrN3O3S2 MolecularWeight: 660.6436

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C33H30BrN3O3S2/c1-35(42(39,40)29-15-12-27(34)13-16-29)28-14-17-30-26(22-28)23-31(41-30)33(38)37-20-18-36(19-21-37)32(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-17,22-23,32H,18-21H2,1H3