(3-azanylpyrazin-2-yl) 4-acetamidobenzenesulfonate

Systemtic Name: (3-azanylpyrazin-2-yl) 4-acetamidobenzenesulfonate Openeye Name: (3-aminopyrazin-2-yl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (3-amino-2-pyrazinyl) ester IUPAC Name: (3-aminopyrazin-2-yl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (3-aminopyrazin-2-yl) ester Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=NC=CN=C2N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=NC=CN=C2N

InChI

InChI=1S/C12H12N4O4S/c1-8(17)16-9-2-4-10(5-3-9)21(18,19)20-12-11(13)14-6-7-15-12/h2-7H,1H3,(H2,13,14)(H,16,17)