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

Systemtic Name: 4-bromanyl-N-ethyl-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-ethyl-benzenesulfonamide CAS Name: 4-bromo-N-ethyl-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-ethylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-ethyl-benzenesulfonamide Formula: C28H28BrN3O3S2 MolecularWeight: 598.57422

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C28H28BrN3O3S2/c1-2-32(37(34,35)25-11-8-23(29)9-12-25)24-10-13-26-22(18-24)19-27(36-26)28(33)31-16-14-30(15-17-31)20-21-6-4-3-5-7-21/h3-13,18-19H,2,14-17,20H2,1H3