(5-ethanoyl-2-ethoxy-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25NO6S/c1-3-28-21-11-8-18(16(2)24)14-19(21)15-29-22(25)17-6-9-20(10-7-17)30(26,27)23-12-4-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3