ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[3,4-bis(fluoranyl)phenyl]-1-[2-[pentylsulfonyl(propyl)amino]ethyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[3,4-bis(fluoranyl)phenyl]-1-[2-[pentylsulfonyl(propyl)amino]ethyl]pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-1-[2-[amylsulfonyl(propyl)amino]ethyl]-4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C30H40F2N2O6S MolecularWeight: 594.710206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)N(CCC)CCN1CC(C(C1C2=CC(=C(C=C2)F)F)C(=O)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1C2=CC(=C(C=C2)F)F)C(=O)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C30H40F2N2O6S/c1-4-7-8-16-41(36,37)34(13-5-2)15-14-33-19-23(21-10-12-26-27(18-21)40-20-39-26)28(30(35)38-6-3)29(33)22-9-11-24(31)25(32)17-22/h9-12,17-18,23,28-29H,4-8,13-16,19-20H2,1-3H3/t23-,28-,29+/m1/s1