3-[[2-[[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-[2-(diethylamino)-5-morpholinosulfonyl-anilino]-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-[2-(diethylamino)-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-[2-(diethylamino)-5-morpholinosulfonyl-anilino]-2-keto-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C21H39N5O4S+2 MolecularWeight: 457.63046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C21H37N5O4S/c1-5-25(6-2)20-9-8-18(31(28,29)26-12-14-30-15-13-26)16-19(20)23-21(27)17-22-10-7-11-24(3)4/h8-9,16,22H,5-7,10-15,17H2,1-4H3,(H,23,27)/p+2