3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-(1-piperidylsulfonyl)benzofuran-2-carboxamide CAS Name: 3-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-5-(1-piperidinylsulfonyl)-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidinosulfonyl-coumarilamide Formula: C22H32N3O5S+ MolecularWeight: 450.57158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C22H31N3O5S/c1-17-19-16-18(31(27,28)25-10-3-2-4-11-25)6-7-20(19)30-21(17)22(26)23-8-5-9-24-12-14-29-15-13-24/h6-7,16H,2-5,8-15H2,1H3,(H,23,26)/p+1