(4-ethanoyl-2-methoxy-phenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-acetyl-2-methoxy-phenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonylnipecotic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C22H25NO7S/c1-15(24)16-6-11-20(21(13-16)29-3)30-22(25)17-5-4-12-23(14-17)31(26,27)19-9-7-18(28-2)8-10-19/h6-11,13,17H,4-5,12,14H2,1-3H3/t17-/m0/s1