3-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

Systemtic Name: 3-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Openeye Name: 3-[4-(benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxy-N-(3-morpholinopropyl)benzenesulfonamide CAS Name: 3-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinyl]-4-methoxy-N-[3-(4-morpholinyl)propyl]benzenesulfonamide IUPAC Name: 3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Traditional Name: 3-[4-(benzothiophene-2-carbonyl)piperazino]-4-methoxy-N-(3-morpholinopropyl)benzenesulfonamide Formula: C27H34N4O5S2 MolecularWeight: 558.71266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C27H34N4O5S2/c1-35-24-8-7-22(38(33,34)28-9-4-10-29-15-17-36-18-16-29)20-23(24)30-11-13-31(14-12-30)27(32)26-19-21-5-2-3-6-25(21)37-26/h2-3,5-8,19-20,28H,4,9-18H2,1H3