6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide Openeye Name: 6-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide CAS Name: 6-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-N-ethyl-N-phenyl-3-pyridinesulfonamide IUPAC Name: 6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenylpyridine-3-sulfonamide Traditional Name: 6-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H30N4O3S/c1-2-30(23-6-4-3-5-7-23)34(31,32)24-9-11-26(27-19-24)29-15-13-28(14-16-29)20-21-8-10-25-22(18-21)12-17-33-25/h3-11,18-19H,2,12-17,20H2,1H3/p+1