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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide Traditional Name: 4-(3-methylphenoxy)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]butyramide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C21H25N3O4S/c1-16-6-2-8-18(14-16)28-13-5-11-21(25)23-17-7-3-9-19(15-17)29(26,27)24-20-10-4-12-22-20/h2-3,6-9,14-15H,4-5,10-13H2,1H3,(H,22,24)(H,23,25)/p+1