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

Systemtic Name: [5-azanyl-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate Openeye Name: [5-amino-7-(p-tolyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate CAS Name: [5-amino-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate IUPAC Name: [5-amino-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate Traditional Name: [5-amino-7-(p-tolyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate Formula: C13H16N3O3S- MolecularWeight: 294.34944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NCC(N2)CS(=O)(=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NCC(N2)CS(=O)(=O)[O-])N

InChI

InChI=1S/C13H17N3O3S/c1-9-2-4-10(5-3-9)12-6-13(14)15-7-11(16-12)8-20(17,18)19/h2-6,11,16H,7-8H2,1H3,(H2,14,15)(H,17,18,19)/p-1