(5-azanyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl)methanesulfonate

Systemtic Name: (5-azanyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl)methanesulfonate Openeye Name: (5-amino-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl)methanesulfonate CAS Name: (5-amino-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl)methanesulfonate IUPAC Name: (5-amino-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl)methanesulfonate Traditional Name: (5-amino-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl)methanesulfonate Formula: C12H14N3O3S- MolecularWeight: 280.32286

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=CC(=N1)N)C2=CC=CC=C2)CS(=O)(=O)[O-]

Isomeric SMILES

C1C(NC(=CC(=N1)N)C2=CC=CC=C2)CS(=O)(=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c13-12-6-11(9-4-2-1-3-5-9)15-10(7-14-12)8-19(16,17)18/h1-6,10,15H,7-8H2,(H2,13,14)(H,16,17,18)/p-1