2-(2-azanylethanoyl)-3-undecanoyloxy-benzenesulfonate

Systemtic Name: 2-(2-azanylethanoyl)-3-undecanoyloxy-benzenesulfonate Openeye Name: 2-(2-aminoacetyl)-3-undecanoyloxy-benzenesulfonate CAS Name: 2-(2-amino-1-oxoethyl)-3-(1-oxoundecoxy)benzenesulfonate IUPAC Name: 2-(2-aminoacetyl)-3-undecanoyloxybenzenesulfonate Traditional Name: 2-glycyl-3-undecanoyloxy-besylate Formula: C19H28NO6S- MolecularWeight: 398.49372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO6S/c1-2-3-4-5-6-7-8-9-13-18(22)26-16-11-10-12-17(27(23,24)25)19(16)15(21)14-20/h10-12H,2-9,13-14,20H2,1H3,(H,23,24,25)/p-1