methyl 2-[4-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H27N3O6S/c1-4-20-17(23)13(2)21-18(24)14-9-11-22(12-10-14)29(26,27)16-8-6-5-7-15(16)19(25)28-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1