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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-phenoxy-butanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-phenoxy-butanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-phenoxybutanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-phenoxybutanamide Traditional Name: 4-phenoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]butyramide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c24-20(12-6-14-27-17-8-2-1-3-9-17)22-16-7-4-10-18(15-16)28(25,26)23-19-11-5-13-21-19/h1-4,7-10,15H,5-6,11-14H2,(H,21,23)(H,22,24)/p+1