2,6,6-trimethyl-4-(4-methylphenyl)sulfonyl-1-oxidanidyl-3,5-dihydro-2H-1,4-diazepin-1-ium

Systemtic Name: 2,6,6-trimethyl-4-(4-methylphenyl)sulfonyl-1-oxidanidyl-3,5-dihydro-2H-1,4-diazepin-1-ium Openeye Name: 2,6,6-trimethyl-1-oxido-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-diazepin-1-ium CAS Name: 2,6,6-trimethyl-4-(4-methylphenyl)sulfonyl-1-oxido-3,5-dihydro-2H-1,4-diazepin-1-ium IUPAC Name: 2,6,6-trimethyl-4-(4-methylphenyl)sulfonyl-1-oxido-3,5-dihydro-2H-1,4-diazepin-1-ium Traditional Name: 2,6,6-trimethyl-1-oxido-4-tosyl-3,5-dihydro-2H-1,4-diazepin-1-ium Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C=[N+]1[O-])(C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1CN(CC(C=[N+]1[O-])(C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H22N2O3S/c1-12-5-7-14(8-6-12)21(19,20)16-9-13(2)17(18)11-15(3,4)10-16/h5-8,11,13H,9-10H2,1-4H3