(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

InChI

InChI=1S/C25H30N2O6S/c1-32-25(29)23(19-10-4-2-5-11-19)33-24(28)21-18-20(12-13-22(21)26-14-8-9-15-26)34(30,31)27-16-6-3-7-17-27/h2,4-5,10-13,18,23H,3,6-9,14-17H2,1H3