[(3R,5R)-5-[(4-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] ethanoate

Systemtic Name: [(3R,5R)-5-[(4-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] ethanoate Openeye Name: [(3R,5R)-5-[(4-ethoxyphenyl)carbamoyl]-1-(p-tolylsulfonyl)pyrrolidin-3-yl] acetate CAS Name: acetic acid [(3R,5R)-5-[(4-ethoxyanilino)-oxomethyl]-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,5R)-5-[(4-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] acetate Traditional Name: acetic acid [(3R,5R)-5-(p-phenetylcarbamoyl)-1-tosyl-pyrrolidin-3-yl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)C)OC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H]2C[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)C)OC(=O)C

InChI

InChI=1S/C22H26N2O6S/c1-4-29-18-9-7-17(8-10-18)23-22(26)21-13-19(30-16(3)25)14-24(21)31(27,28)20-11-5-15(2)6-12-20/h5-12,19,21H,4,13-14H2,1-3H3,(H,23,26)/t19-,21-/m1/s1