(2R)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-acetyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-acetyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-acetyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-acetyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N4O5S+ MolecularWeight: 443.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H22N4O5S/c1-14(26)25-13-19(30-18-9-3-2-8-17(18)25)21(27)23-15-6-4-7-16(12-15)31(28,29)24-20-10-5-11-22-20/h2-4,6-9,12,19H,5,10-11,13H2,1H3,(H,22,24)(H,23,27)/p+1/t19-/m1/s1