methyl (2S)-4-chloranylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl (2S)-4-chloranylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-4-chlorosulfonyl-butanoate CAS Name: (2S)-4-chlorosulfonyl-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-chlorosulfonyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-chlorosulfonyl-butyric acid methyl ester Formula: C13H16ClNO6S MolecularWeight: 349.78724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)Cl)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCS(=O)(=O)Cl)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16ClNO6S/c1-20-12(16)11(7-8-22(14,18)19)15-13(17)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,17)/t11-/m0/s1