N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-morpholin-4-yl-5-sulfamoyl-benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-morpholin-4-yl-5-sulfamoyl-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-morpholino-5-sulfamoyl-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-morpholinyl)-5-sulfamoylbenzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-morpholino-5-sulfamoyl-benzamide Formula: C21H29N4O5S+ MolecularWeight: 449.54376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3)C4=CC=CO4

InChI

InChI=1S/C21H28N4O5S/c22-31(27,28)16-5-6-18(25-9-12-29-13-10-25)17(14-16)21(26)23-15-19(20-4-3-11-30-20)24-7-1-2-8-24/h3-6,11,14,19H,1-2,7-10,12-13,15H2,(H,23,26)(H2,22,27,28)/p+1/t19-/m0/s1