methyl 3-[2-[(2S)-2-(butylsulfonylamino)propanoyl]oxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2S)-2-(butylsulfonylamino)propanoyl]oxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2S)-2-(butylsulfonylamino)propanoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2S)-2-(butylsulfonylamino)-1-oxopropoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-2-(butylsulfonylamino)propanoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2S)-2-(butylsulfonylamino)propanoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C

InChI

InChI=1S/C18H26N2O7S/c1-5-6-9-28(24,25)20-13(3)17(22)27-11-16(21)19-15-10-14(18(23)26-4)8-7-12(15)2/h7-8,10,13,20H,5-6,9,11H2,1-4H3,(H,19,21)/t13-/m0/s1