[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

InChI

InChI=1S/C18H26N2O7S/c1-4-13(2)19-17(21)12-27-18(22)15-11-14(5-6-16(15)25-3)28(23,24)20-7-9-26-10-8-20/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,21)/t13-/m0/s1