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

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-phenethyl-azanium Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-phenethyl-ammonium CAS Name: [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-phenethylammonium IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-phenethylazanium Traditional Name: [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-phenethyl-ammonium Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c24-20(16-21-12-11-17-7-2-1-3-8-17)22-18-9-6-10-19(15-18)27(25,26)23-13-4-5-14-23/h1-3,6-10,15,21H,4-5,11-14,16H2,(H,22,24)/p+1