2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H34N4O4S/c31-26(27-23-5-7-24(8-6-23)35(32,33)30-11-2-1-3-12-30)20-29-15-13-28(14-16-29)19-21-4-9-25-22(18-21)10-17-34-25/h4-9,18H,1-3,10-17,19-20H2,(H,27,31)/p+1