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

Systemtic Name: methyl (2S,4S)-4-[2-cyanoethyl(oxidanyl)amino]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[2-cyanoethyl(hydroxy)amino]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[2-cyanoethyl(hydroxy)amino]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[2-cyanoethyl(hydroxy)amino]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[2-cyanoethyl(hydroxy)amino]-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-12-4-6-14(7-5-12)25(22,23)19-11-13(18(21)9-3-8-17)10-15(19)16(20)24-2/h4-7,13,15,21H,3,9-11H2,1-2H3/t13-,15-/m0/s1