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

Systemtic Name: ethyl 4-[[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(diethylamino)-5-(1-piperidylsulfonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-(diethylamino)-5-(1-piperidinylsulfonyl)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-4-oxobutanoate Traditional Name: 4-[2-(diethylamino)-5-piperidinosulfonyl-anilino]-4-keto-butyric acid ethyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C21H33N3O5S/c1-4-23(5-2)19-11-10-17(30(27,28)24-14-8-7-9-15-24)16-18(19)22-20(25)12-13-21(26)29-6-3/h10-11,16H,4-9,12-15H2,1-3H3,(H,22,25)