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

Systemtic Name: methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: benzyl-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O3S/c1-22(15-17-7-3-2-4-8-17)16-20(24)21-18-9-11-19(12-10-18)27(25,26)23-13-5-6-14-23/h2-4,7-12H,5-6,13-16H2,1H3,(H,21,24)/p+1