4,5-dihydroimidazol-1-amine; 2-oxidanylidene-2-[4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]phenoxy]ethanoate

Systemtic Name: 4,5-dihydroimidazol-1-amine; 2-oxidanylidene-2-[4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]phenoxy]ethanoate Openeye Name: 4,5-dihydroimidazol-1-amine; 2-oxo-2-[4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]phenoxy]acetate CAS Name: 4,5-dihydroimidazol-1-amine; 2-oxo-2-[4-[[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]phenoxy]acetate IUPAC Name: 4,5-dihydroimidazol-1-amine; 2-oxo-2-[4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]phenoxy]acetate Traditional Name: 2-imidazolin-1-ylamine; 2-keto-2-[4-[4-(pyrrolidinosulfonylmethyl)benzyl]phenoxy]acetate Formula: C23H27N4O6S- MolecularWeight: 487.54868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)CC3=CC=C(C=C3)OC(=O)C(=O)[O-].C1CN(C=N1)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)CC3=CC=C(C=C3)OC(=O)C(=O)[O-].C1CN(C=N1)N

InChI

InChI=1S/C20H21NO6S.C3H7N3/c22-19(23)20(24)27-18-9-7-16(8-10-18)13-15-3-5-17(6-4-15)14-28(25,26)21-11-1-2-12-21;4-6-2-1-5-3-6/h3-10H,1-2,11-14H2,(H,22,23);3H,1-2,4H2/p-1