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

Systemtic Name: methyl 2-[4-(pentylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(pentylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-(pentylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(pentylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(amylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-4-7-12-20-18(22)15-10-13-21(14-11-15)27(24,25)17-9-6-5-8-16(17)19(23)26-2/h5-6,8-9,15H,3-4,7,10-14H2,1-2H3,(H,20,22)