ethyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-(2-thenyl)ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H25N3O3S2/c1-2-21(14-17-8-6-12-26-17)15-19(23)20-16-7-5-9-18(13-16)27(24,25)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,20,23)/p+1