(2-oxidanylidene-2-phenylazanyl-ethyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O6S/c1-27-17-10-9-15(13-18(17)29(25,26)22-11-5-6-12-22)20(24)28-14-19(23)21-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,21,23)