[2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)CC

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)CC

InChI

InChI=1S/C16H22N2O6S/c1-4-17-15(20)11(3)18-14(19)10-24-16(21)12-8-6-7-9-13(12)25(22,23)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1