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

Systemtic Name: ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: ethyl-[2-(ethylamino)-2-oxo-ethyl]-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: ethyl-[2-(ethylamino)-2-keto-ethyl]-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]ammonium Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-3-19-17(23)13-21(4-2)14-18(24)20-15-8-7-9-16(12-15)27(25,26)22-10-5-6-11-22/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H,19,23)(H,20,24)/p+1