methyl (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-4-morpholin-4-ylimino-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-4-morpholin-4-ylimino-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-4-morpholinoimino-pyrrolidine-2-carboxylate CAS Name: (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-4-(4-morpholinylimino)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-4-morpholin-4-yliminopyrrolidine-2-carboxylate Traditional Name: (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-4-morpholinoimino-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=NN3CCOCC3)CC2C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C/C(=N\N3CCOCC3)/C[C@@H]2C(=O)OC

InChI

InChI=1S/C20H29N3O6S/c1-3-4-11-29-17-5-7-18(8-6-17)30(25,26)23-15-16(14-19(23)20(24)27-2)21-22-9-12-28-13-10-22/h5-8,19H,3-4,9-15H2,1-2H3/b21-16-/t19-/m1/s1