tert-butyl 2-[cyano-[(phenylmethyl)amino]methyl]-4-(4-methylphenyl)sulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[cyano-[(phenylmethyl)amino]methyl]-4-(4-methylphenyl)sulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(benzylamino)-cyano-methyl]-4-(p-tolylsulfonyloxy)pyrrolidine-1-carboxylate CAS Name: 2-[cyano-[(phenylmethyl)amino]methyl]-4-(4-methylphenyl)sulfonyloxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(benzylamino)-cyanomethyl]-4-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[(benzylamino)-cyano-methyl]-4-tosyloxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)OC(C)(C)C)C(C#N)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)OC(C)(C)C)C(C#N)NCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5S/c1-18-10-12-21(13-11-18)34(30,31)33-20-14-23(28(17-20)24(29)32-25(2,3)4)22(15-26)27-16-19-8-6-5-7-9-19/h5-13,20,22-23,27H,14,16-17H2,1-4H3