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

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S/c1-4-27-17-9-8-16(13-18(17)29(25,26)22-11-5-6-12-22)21-19(23)14-28-20(24)10-7-15(2)3/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,23)