2-(2-azanylethanoyl)-3-hexanoyloxy-benzenesulfonate

Systemtic Name: 2-(2-azanylethanoyl)-3-hexanoyloxy-benzenesulfonate Openeye Name: 2-(2-aminoacetyl)-3-hexanoyloxy-benzenesulfonate CAS Name: 2-(2-amino-1-oxoethyl)-3-(1-oxohexoxy)benzenesulfonate IUPAC Name: 2-(2-aminoacetyl)-3-hexanoyloxybenzenesulfonate Traditional Name: 3-caproyloxy-2-glycyl-besylate Formula: C14H18NO6S- MolecularWeight: 328.36082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=CC=C1)S(=O)(=O)[O-])C(=O)CN

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=CC=C1)S(=O)(=O)[O-])C(=O)CN

InChI

InChI=1S/C14H19NO6S/c1-2-3-4-8-13(17)21-11-6-5-7-12(22(18,19)20)14(11)10(16)9-15/h5-7H,2-4,8-9,15H2,1H3,(H,18,19,20)/p-1