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

Systemtic Name: (4-chlorophenyl)methyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (4-chlorophenyl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (4-chlorophenyl)methyl-methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (4-chlorobenzyl)-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-23(14-16-4-6-17(21)7-5-16)15-20(25)22-18-8-10-19(11-9-18)28(26,27)24-12-2-3-13-24/h4-11H,2-3,12-15H2,1H3,(H,22,25)/p+1