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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(4-methoxyphenoxy)butanamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(4-methoxyphenoxy)butanamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(4-methoxyphenoxy)butanamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(4-methoxyphenoxy)butanamide Traditional Name: 4-(4-methoxyphenoxy)-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]butyramide Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-28-17-8-10-18(11-9-17)29-15-3-5-21(25)23-16-6-12-19(13-7-16)30(26,27)24-20-4-2-14-22-20/h6-13H,2-5,14-15H2,1H3,(H,22,24)(H,23,25)/p+1