N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[[(2S)-5-(4-mesylphenyl)coumaran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C27H35N2O5S+ MolecularWeight: 499.6422

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C27H34N2O5S/c1-35(31,32)24-8-5-20(6-9-24)21-7-10-25-22(17-21)18-23(34-25)19-28-26(30)27(11-3-2-4-12-27)29-13-15-33-16-14-29/h5-10,17,23H,2-4,11-16,18-19H2,1H3,(H,28,30)/p+1/t23-/m0/s1