ethyl 2-[(3S,4S,5S)-4-methanoyl-1-(4-methylphenyl)sulfonyl-5-phenyl-pyrrolidin-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S,4S,5S)-4-methanoyl-1-(4-methylphenyl)sulfonyl-5-phenyl-pyrrolidin-3-yl]ethanoate Openeye Name: ethyl 2-[(3S,4S,5S)-4-formyl-5-phenyl-1-(p-tolylsulfonyl)pyrrolidin-3-yl]acetate CAS Name: 2-[(3S,4S,5S)-4-formyl-1-(4-methylphenyl)sulfonyl-5-phenyl-3-pyrrolidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,4S,5S)-4-formyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-3-yl]acetate Traditional Name: 2-[(3S,4S,5S)-4-formyl-5-phenyl-1-tosyl-pyrrolidin-3-yl]acetic acid ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CN(C(C1C=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C[C@@H]1CN([C@@H]([C@H]1C=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO5S/c1-3-28-21(25)13-18-14-23(29(26,27)19-11-9-16(2)10-12-19)22(20(18)15-24)17-7-5-4-6-8-17/h4-12,15,18,20,22H,3,13-14H2,1-2H3/t18-,20+,22-/m1/s1