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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-19(2,3)21-18(25)14-22(4)13-17(24)20-15-8-7-9-16(12-15)28(26,27)23-10-5-6-11-23/h7-9,12H,5-6,10-11,13-14H2,1-4H3,(H,20,24)(H,21,25)/p+1