N-[2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxo-ethyl]-4-phenoxy-benzamide CAS Name: N-[2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxoethyl]-4-phenoxybenzamide IUPAC Name: N-[2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxoethyl]-4-phenoxybenzamide Traditional Name: N-[2-keto-2-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]ethyl]-4-phenoxy-benzamide Formula: C25H25N4O5S+ MolecularWeight: 493.5548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O5S/c30-24(28-19-6-4-9-22(16-19)35(32,33)29-23-10-5-15-26-23)17-27-25(31)18-11-13-21(14-12-18)34-20-7-2-1-3-8-20/h1-4,6-9,11-14,16H,5,10,15,17H2,(H,26,29)(H,27,31)(H,28,30)/p+1