methyl 2-[4-(2-ethylhexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2-ethylhexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(2-ethylhexylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(2-ethylhexylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-ethylhexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2-ethylhexylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H34N2O5S/c1-4-6-9-17(5-2)16-23-21(25)18-12-14-24(15-13-18)30(27,28)20-11-8-7-10-19(20)22(26)29-3/h7-8,10-11,17-18H,4-6,9,12-16H2,1-3H3,(H,23,25)