methyl 4-[[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[4-(2-ketopyrrolidino)phenyl]sulfonylpiperazino]methyl]benzoic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C23H27N3O5S/c1-31-23(28)19-6-4-18(5-7-19)17-24-13-15-25(16-14-24)32(29,30)21-10-8-20(9-11-21)26-12-2-3-22(26)27/h4-11H,2-3,12-17H2,1H3