(2S)-5-chloranyl-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2S)-5-chloranyl-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2S)-5-chloro-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2S)-5-chloro-N-[4-[3-(4-morpholin-4-iumyl)propylsulfamoyl]phenyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2S)-5-chloro-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2S)-5-chloro-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]coumaran-2-carboxamide Formula: C22H27ClN3O5S+ MolecularWeight: 480.98488

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H26ClN3O5S/c23-17-2-7-20-16(14-17)15-21(31-20)22(27)25-18-3-5-19(6-4-18)32(28,29)24-8-1-9-26-10-12-30-13-11-26/h2-7,14,21,24H,1,8-13,15H2,(H,25,27)/p+1/t21-/m0/s1