methyl (2S,4S)-4-[methyl(oxidanyl)amino]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[methyl(oxidanyl)amino]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[hydroxy(methyl)amino]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[hydroxy(methyl)amino]-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C14H20N2O5S MolecularWeight: 328.384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)OC)N(C)O

InChI

InChI=1S/C14H20N2O5S/c1-10-4-6-12(7-5-10)22(19,20)16-9-11(15(2)18)8-13(16)14(17)21-3/h4-7,11,13,18H,8-9H2,1-3H3/t11-,13-/m0/s1