methyl 5-[4-[1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[1-(2-chlorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[1-(2-chlorophenyl)-5-keto-pyrrolidine-3-carbonyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H22ClN3O6S2 MolecularWeight: 511.99888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O6S2/c1-31-21(28)15-11-19(32-13-15)33(29,30)24-8-6-23(7-9-24)20(27)14-10-18(26)25(12-14)17-5-3-2-4-16(17)22/h2-5,11,13-14H,6-10,12H2,1H3