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

Systemtic Name: 4-chloranyl-N-[3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-chloro-N-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxo-propyl]benzamide CAS Name: 4-chloro-N-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxopropyl]benzamide IUPAC Name: 4-chloro-N-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxopropyl]benzamide Traditional Name: 4-chloro-N-[3-keto-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]propyl]benzamide Formula: C20H22ClN4O4S+ MolecularWeight: 449.93108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O4S/c21-15-8-6-14(7-9-15)20(27)23-12-10-19(26)24-16-3-1-4-17(13-16)30(28,29)25-18-5-2-11-22-18/h1,3-4,6-9,13H,2,5,10-12H2,(H,22,25)(H,23,27)(H,24,26)/p+1