[(3R,4S)-4-(3,4-dimethoxyphenyl)-4-ethyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] ethanoate

Systemtic Name: [(3R,4S)-4-(3,4-dimethoxyphenyl)-4-ethyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] ethanoate Openeye Name: [(3R,4S)-4-(3,4-dimethoxyphenyl)-4-ethyl-1-(p-tolylsulfonyl)pyrrolidin-3-yl] acetate CAS Name: acetic acid [(3R,4S)-4-(3,4-dimethoxyphenyl)-4-ethyl-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,4S)-4-(3,4-dimethoxyphenyl)-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] acetate Traditional Name: acetic acid [(3R,4S)-4-(3,4-dimethoxyphenyl)-4-ethyl-1-tosyl-pyrrolidin-3-yl] ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(CC1OC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S/c1-6-23(18-9-12-20(28-4)21(13-18)29-5)15-24(14-22(23)30-17(3)25)31(26,27)19-10-7-16(2)8-11-19/h7-13,22H,6,14-15H2,1-5H3/t22-,23+/m0/s1