methyl (2R,4S)-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-morpholino-1-(4-pentylphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-(4-morpholinyl)-1-(4-pentylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-morpholin-4-yl-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-amylphenyl)sulfonyl-4-morpholino-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N3CCOCC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)N3CCOCC3

InChI

InChI=1S/C21H32N2O5S/c1-3-4-5-6-17-7-9-19(10-8-17)29(25,26)23-16-18(15-20(23)21(24)27-2)22-11-13-28-14-12-22/h7-10,18,20H,3-6,11-16H2,1-2H3/t18-,20+/m0/s1