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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C20H21N4O4S2+ MolecularWeight: 445.53514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O4S2/c25-19(12-17-20(26)23-15-7-1-2-8-16(15)29-17)22-13-5-3-6-14(11-13)30(27,28)24-18-9-4-10-21-18/h1-3,5-8,11,17H,4,9-10,12H2,(H,21,24)(H,22,25)(H,23,26)/p+1/t17-/m1/s1