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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (2-amino-2-keto-1-phenyl-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)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)N3CCCC3

InChI

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