methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-phenoxyethyl)azanium Traditional Name: [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O4S/c1-23(15-16-28-19-7-3-2-4-8-19)17-21(25)22-18-9-11-20(12-10-18)29(26,27)24-13-5-6-14-24/h2-4,7-12H,5-6,13-17H2,1H3,(H,22,25)/p+1