[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@@H]2C

InChI

InChI=1S/C18H25N3O6S/c1-3-19-18(24)20-16(22)12-27-17(23)14-8-6-9-15(11-14)28(25,26)21-10-5-4-7-13(21)2/h6,8-9,11,13H,3-5,7,10,12H2,1-2H3,(H2,19,20,22,24)/t13-/m0/s1