methyl 1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)sulfonylisonipecotic acid methyl ester Formula: C17H24N2O6S2 MolecularWeight: 416.51226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H24N2O6S2/c1-25-17(20)14-8-12-19(13-9-14)27(23,24)16-6-4-15(5-7-16)26(21,22)18-10-2-3-11-18/h4-7,14H,2-3,8-13H2,1H3