[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C18H26ClNO5S MolecularWeight: 403.92074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H26ClNO5S/c1-12(2)6-5-7-13(3)20-17(21)11-25-18(22)15-10-14(26(4,23)24)8-9-16(15)19/h8-10,12-13H,5-7,11H2,1-4H3,(H,20,21)/t13-/m0/s1