methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-(phenylsulfonyl)-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-(phenylsulfonyl)-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-(benzenesulfonyl)-5-[[(4-methoxyphenyl)methylamino]-oxomethyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-besyl-5-(p-anisylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C25H26N2O6S2 MolecularWeight: 514.61374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C25H26N2O6S2/c1-32-18-12-10-17(11-13-18)16-26-24(28)21-15-20(25(29)33-2)23(22-9-6-14-34-22)27(21)35(30,31)19-7-4-3-5-8-19/h3-14,20-21,23H,15-16H2,1-2H3,(H,26,28)