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

Systemtic Name: methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(hexylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(hexylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(hexylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H30N2O5S/c1-3-4-5-8-13-21-19(23)16-11-14-22(15-12-16)28(25,26)18-10-7-6-9-17(18)20(24)27-2/h6-7,9-10,16H,3-5,8,11-15H2,1-2H3,(H,21,23)