[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H26N2O6S/c1-3-7-18(22)26-13-17(21)19-14-8-9-15(25-4-2)16(12-14)27(23,24)20-10-5-6-11-20/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,21)