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

Systemtic Name: [5-azanyl-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid Openeye Name: [5-amino-7-(p-tolyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid CAS Name: [5-amino-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid IUPAC Name: [5-amino-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid Traditional Name: [5-amino-7-(p-tolyl)-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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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)