methyl 4-[(2-aminocarbonyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzoate

Systemtic Name: methyl 4-[(2-aminocarbonyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzoate CAS Name: 4-[[2-carbamoyl-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]benzoate Traditional Name: 4-[(2-carbamoyl-4-pyrrolidinosulfonyl-phenoxy)methyl]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)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N

Isomeric SMILES

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

InChI

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