methyl 3-methylsulfonyl-4-[4-(2-oxidanylidenepyrrolidin-1-yl)piperidin-1-yl]benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-[4-(2-oxidanylidenepyrrolidin-1-yl)piperidin-1-yl]benzoate Openeye Name: methyl 3-methylsulfonyl-4-[4-(2-oxopyrrolidin-1-yl)-1-piperidyl]benzoate CAS Name: 3-methylsulfonyl-4-[4-(2-oxo-1-pyrrolidinyl)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]benzoate Traditional Name: 4-[4-(2-ketopyrrolidino)piperidino]-3-mesyl-benzoic acid methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3CCCC3=O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3CCCC3=O)S(=O)(=O)C

InChI

InChI=1S/C18H24N2O5S/c1-25-18(22)13-5-6-15(16(12-13)26(2,23)24)19-10-7-14(8-11-19)20-9-3-4-17(20)21/h5-6,12,14H,3-4,7-11H2,1-2H3