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

Systemtic Name: methyl-[2-(4-methylphenoxy)ethyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: methyl-[2-(4-methylphenoxy)ethyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: methyl-[2-(4-methylphenoxy)ethyl]-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: methyl-[2-(4-methylphenoxy)ethyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-[2-(4-methylphenoxy)ethyl]ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-18-5-9-20(10-6-18)29-16-15-24(2)17-22(26)23-19-7-11-21(12-8-19)30(27,28)25-13-3-4-14-25/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1