2-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxybenzamide Traditional Name: 2-bromo-5-methoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C18H19BrN3O4S+ MolecularWeight: 453.33016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H18BrN3O4S/c1-26-13-7-8-16(19)15(11-13)18(23)21-12-4-2-5-14(10-12)27(24,25)22-17-6-3-9-20-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,22)(H,21,23)/p+1