phenylsulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate

Systemtic Name: phenylsulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Openeye Name: benzenesulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid benzenesulfonyl ester IUPAC Name: benzenesulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Traditional Name: 3-(1H-imidazol-5-yl)-2-(methylamino)propionic acid besyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O4S/c1-14-12(7-10-8-15-9-16-10)13(17)20-21(18,19)11-5-3-2-4-6-11/h2-6,8-9,12,14H,7H2,1H3,(H,15,16)