N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]butyramide Formula: C21H23N4O5S+ MolecularWeight: 443.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H22N4O5S/c26-20(11-5-13-25-17-8-1-2-9-18(17)30-21(25)27)23-15-6-3-7-16(14-15)31(28,29)24-19-10-4-12-22-19/h1-3,6-9,14H,4-5,10-13H2,(H,22,24)(H,23,26)/p+1