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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: [2-(dimethylamino)-2-oxo-ethyl]-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-(dimethylamino)-2-keto-ethyl]-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)CC(=O)N(C)C

Isomeric SMILES

C[NH+](CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)CC(=O)N(C)C

InChI

InChI=1S/C17H26N4O4S/c1-19(2)17(23)13-20(3)12-16(22)18-14-7-6-8-15(11-14)26(24,25)21-9-4-5-10-21/h6-8,11H,4-5,9-10,12-13H2,1-3H3,(H,18,22)/p+1