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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methoxy-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methoxy-benzamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methoxybenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methoxybenzamide Traditional Name: 3-methoxy-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-25-15-5-2-4-13(12-15)18(22)20-14-7-9-16(10-8-14)26(23,24)21-17-6-3-11-19-17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,21)(H,20,22)/p+1