ethyl 4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-4-oxo-butanoate CAS Name: 4-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-4-oxobutanoate Traditional Name: 4-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-4-keto-butyric acid ethyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H26N2O6S/c1-3-25-15-8-7-14(19-17(21)9-10-18(22)26-4-2)13-16(15)27(23,24)20-11-5-6-12-20/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,21)