tert-butyl (3S,4S)-3,4-bis[(2-methylphenyl)sulfonyl-(phenylmethyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3,4-bis[(2-methylphenyl)sulfonyl-(phenylmethyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3,4-bis[benzyl(o-tolylsulfonyl)amino]pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3,4-bis[(2-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3,4-bis[benzyl-(2-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3,4-bis[benzyl(o-tolylsulfonyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C37H43N3O6S2 MolecularWeight: 689.88382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N(CC2=CC=CC=C2)C3CN(CC3N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N(CC2=CC=CC=C2)[C@H]3CN(C[C@@H]3N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C)C(=O)OC(C)(C)C

InChI

InChI=1S/C37H43N3O6S2/c1-28-16-12-14-22-34(28)47(42,43)39(24-30-18-8-6-9-19-30)32-26-38(36(41)46-37(3,4)5)27-33(32)40(25-31-20-10-7-11-21-31)48(44,45)35-23-15-13-17-29(35)2/h6-23,32-33H,24-27H2,1-5H3/t32-,33-/m0/s1