methyl 1-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 5-(3-nitrophenyl)-1-(p-tolylsulfonyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 5-(3-nitrophenyl)-1-tosyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20N2O6S/c1-13-6-8-17(9-7-13)28(25,26)20-12-15(19(22)27-2)11-18(20)14-4-3-5-16(10-14)21(23)24/h3-10,15,18H,11-12H2,1-2H3