2-(2-azanylethanoyl)-3-nonanoyloxy-benzenesulfonate

Systemtic Name: 2-(2-azanylethanoyl)-3-nonanoyloxy-benzenesulfonate Openeye Name: 2-(2-aminoacetyl)-3-nonanoyloxy-benzenesulfonate CAS Name: 2-(2-amino-1-oxoethyl)-3-(1-oxononoxy)benzenesulfonate IUPAC Name: 2-(2-aminoacetyl)-3-nonanoyloxybenzenesulfonate Traditional Name: 2-glycyl-3-pelargonyloxy-besylate Formula: C17H24NO6S- MolecularWeight: 370.44056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO6S/c1-2-3-4-5-6-7-11-16(20)24-14-9-8-10-15(25(21,22)23)17(14)13(19)12-18/h8-10H,2-7,11-12,18H2,1H3,(H,21,22,23)/p-1