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

Systemtic Name: tert-butyl (3S,4S)-3,4-bis[(4-cyanophenyl)sulfonyl-(phenylmethyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3,4-bis[benzyl-(4-cyanophenyl)sulfonyl-amino]pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3,4-bis[(4-cyanophenyl)sulfonyl-(phenylmethyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3,4-bis[benzyl-(4-cyanophenyl)sulfonylamino]pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3,4-bis[benzyl-(4-cyanophenyl)sulfonyl-amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C37H37N5O6S2 MolecularWeight: 711.84958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C37H37N5O6S2/c1-37(2,3)48-36(43)40-26-34(41(24-30-10-6-4-7-11-30)49(44,45)32-18-14-28(22-38)15-19-32)35(27-40)42(25-31-12-8-5-9-13-31)50(46,47)33-20-16-29(23-39)17-21-33/h4-21,34-35H,24-27H2,1-3H3/t34-,35-/m0/s1