methyl 4-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-pyrrolidinosulfonylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O6S/c1-27-20(24)15-4-6-16(7-5-15)21-19(23)14-28-17-8-10-18(11-9-17)29(25,26)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,21,23)