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

Systemtic Name: 4-bromanyl-N-ethyl-N-[2-(4-methylpiperazin-1-yl)carbonyl-1-benzothiophen-5-yl]benzenesulfonamide Openeye Name: 4-bromo-N-ethyl-N-[2-(4-methylpiperazine-1-carbonyl)benzothiophen-5-yl]benzenesulfonamide CAS Name: 4-bromo-N-ethyl-N-[2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-benzothiophen-5-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-ethyl-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]benzenesulfonamide Traditional Name: 4-bromo-N-ethyl-N-[2-(4-methylpiperazine-1-carbonyl)benzothiophen-5-yl]benzenesulfonamide Formula: C22H24BrN3O3S2 MolecularWeight: 522.47826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O3S2/c1-3-26(31(28,29)19-7-4-17(23)5-8-19)18-6-9-20-16(14-18)15-21(30-20)22(27)25-12-10-24(2)11-13-25/h4-9,14-15H,3,10-13H2,1-2H3