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

Systemtic Name: 2-(2-azanylethanoyl)-3-octanoyloxy-benzenesulfonic acid Openeye Name: 2-(2-aminoacetyl)-3-octanoyloxy-benzenesulfonic acid CAS Name: 2-(2-amino-1-oxoethyl)-3-(1-oxooctoxy)benzenesulfonic acid IUPAC Name: 2-(2-aminoacetyl)-3-octanoyloxybenzenesulfonic acid Traditional Name: 3-caprylyloxy-2-glycyl-besylic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO6S/c1-2-3-4-5-6-10-15(19)23-13-8-7-9-14(24(20,21)22)16(13)12(18)11-17/h7-9H,2-6,10-11,17H2,1H3,(H,20,21,22)