methyl 2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenyl-ethanoate

Systemtic Name: methyl 2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenyl-ethanoate Openeye Name: methyl 2,2-diphenyl-2-[(3S)-1-(p-tolylsulfonyl)pyrrolidin-3-yl]acetate CAS Name: 2-[(3S)-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]-2,2-diphenylacetic acid methyl ester IUPAC Name: methyl 2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetate Traditional Name: 2,2-diphenyl-2-[(3S)-1-tosylpyrrolidin-3-yl]acetic acid methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H27NO4S/c1-20-13-15-24(16-14-20)32(29,30)27-18-17-23(19-27)26(25(28)31-2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23H,17-19H2,1-2H3/t23-/m1/s1