(phenylmethyl) (2R,4S)-2-cyano-4-[(4-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,4S)-2-cyano-4-[(4-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,4S)-2-cyano-4-(p-tolylsulfonylamino)pyrrolidine-1-carboxylate CAS Name: (2R,4S)-2-cyano-4-[(4-methylphenyl)sulfonylamino]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,4S)-2-cyano-4-[(4-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate Traditional Name: (2R,4S)-2-cyano-4-(tosylamino)pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(N(C2)C(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C[C@@H](N(C2)C(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H21N3O4S/c1-15-7-9-19(10-8-15)28(25,26)22-17-11-18(12-21)23(13-17)20(24)27-14-16-5-3-2-4-6-16/h2-10,17-18,22H,11,13-14H2,1H3/t17-,18+/m0/s1