2-(2-azanylethanoyl)-3-decanoyloxy-benzenesulfonic acid

Systemtic Name: 2-(2-azanylethanoyl)-3-decanoyloxy-benzenesulfonic acid Openeye Name: 2-(2-aminoacetyl)-3-decanoyloxy-benzenesulfonic acid CAS Name: 2-(2-amino-1-oxoethyl)-3-(1-oxodecoxy)benzenesulfonic acid IUPAC Name: 2-(2-aminoacetyl)-3-decanoyloxybenzenesulfonic acid Traditional Name: 3-capryloxy-2-glycyl-besylic acid Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C(=CC=C1)S(=O)(=O)O)C(=O)CN

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C(=CC=C1)S(=O)(=O)O)C(=O)CN

InChI

InChI=1S/C18H27NO6S/c1-2-3-4-5-6-7-8-12-17(21)25-15-10-9-11-16(26(22,23)24)18(15)14(20)13-19/h9-11H,2-8,12-13,19H2,1H3,(H,22,23,24)