1-[2-[[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-(diethylamino)-5-morpholinosulfonyl-anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-(diethylamino)-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-(diethylamino)-5-morpholinosulfonyl-anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H36N5O5S+ MolecularWeight: 482.61674

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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[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H35N5O5S/c1-3-26(4-2)20-6-5-18(33(30,31)27-11-13-32-14-12-27)15-19(20)24-21(28)16-25-9-7-17(8-10-25)22(23)29/h5-6,15,17H,3-4,7-14,16H2,1-2H3,(H2,23,29)(H,24,28)/p+1