(5-bromanylthiophen-2-yl)methyl-ethyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]ammonium Formula: C19H25BrN3O3S2+ MolecularWeight: 487.4541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H24BrN3O3S2/c1-2-22(13-16-8-9-18(20)27-16)14-19(24)21-15-6-5-7-17(12-15)28(25,26)23-10-3-4-11-23/h5-9,12H,2-4,10-11,13-14H2,1H3,(H,21,24)/p+1