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

Systemtic Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenyl-butanamide Openeye Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenyl-butanamide CAS Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylbutanamide IUPAC Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylbutanamide Traditional Name: (2S)-2-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]butyramide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-2-18(15-8-4-3-5-9-15)20(24)22-16-10-6-11-17(14-16)27(25,26)23-19-12-7-13-21-19/h3-6,8-11,14,18H,2,7,12-13H2,1H3,(H,21,23)(H,22,24)/p+1/t18-/m0/s1