tert-butyl (3S,4S)-3,4-bis[(4-bromophenyl)methyl-(phenylsulfonyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3,4-bis[(4-bromophenyl)methyl-(phenylsulfonyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3,4-bis[benzenesulfonyl-[(4-bromophenyl)methyl]amino]pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3,4-bis[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3,4-bis[benzenesulfonyl-[(4-bromophenyl)methyl]amino]pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3,4-bis[besyl-(4-bromobenzyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C35H37Br2N3O6S2 MolecularWeight: 819.62278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H37Br2N3O6S2/c1-35(2,3)46-34(41)38-24-32(39(22-26-14-18-28(36)19-15-26)47(42,43)30-10-6-4-7-11-30)33(25-38)40(23-27-16-20-29(37)21-17-27)48(44,45)31-12-8-5-9-13-31/h4-21,32-33H,22-25H2,1-3H3/t32-,33-/m0/s1