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

Systemtic Name: 2-(2-azanylethanoyl)-3-heptanoyloxy-benzenesulfonic acid Openeye Name: 2-(2-aminoacetyl)-3-heptanoyloxy-benzenesulfonic acid CAS Name: 2-(2-amino-1-oxoethyl)-3-(1-oxoheptoxy)benzenesulfonic acid IUPAC Name: 2-(2-aminoacetyl)-3-heptanoyloxybenzenesulfonic acid Traditional Name: 3-enanthyloxy-2-glycyl-besylic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO6S/c1-2-3-4-5-9-14(18)22-12-7-6-8-13(23(19,20)21)15(12)11(17)10-16/h6-8H,2-5,9-10,16H2,1H3,(H,19,20,21)