[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O6S/c1-29(26,27)13-12-17(22-19(24)15-8-4-2-5-9-15)20(25)28-14-18(23)21-16-10-6-3-7-11-16/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1