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2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-4-methyl-benzenesulfinate

2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-4-methyl-benzenesulfinate

Systemtic Name:2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-4-methyl-benzenesulfinate
Openeye Name:2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-4-methyl-benzenesulfinate
CAS Name:2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-4-methylbenzenesulfinate
IUPAC Name:2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-4-methylbenzenesulfinate
Traditional Name:2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-4-methyl-benzenesulfinate
Formula: C13H14N3O3S-
MolecularWeight: 292.33356
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)[O-])C(=O)C(CC2=CN=CN2)N


Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)[O-])C(=O)C(CC2=CN=CN2)N


InChI

InChI=1S/C13H15N3O3S/c1-8-2-3-12(20(18)19)10(4-8)13(17)11(14)5-9-6-15-7-16-9/h2-4,6-7,11H,5,14H2,1H3,(H,15,16)(H,18,19)/p-1


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