1-methyl-4-[4-(sulfamoylamino)phenyl]-1,4-diazepane trichloride

Systemtic Name: 1-methyl-4-[4-(sulfamoylamino)phenyl]-1,4-diazepane trichloride Openeye Name: 1-methyl-4-[4-(sulfamoylamino)phenyl]-1,4-diazepane trichloride CAS Name: 1-methyl-4-[4-(sulfamoylamino)phenyl]-1,4-diazepane trichloride IUPAC Name: 1-methyl-4-[4-(sulfamoylamino)phenyl]-1,4-diazepane trichloride Traditional Name: 1-methyl-4-[4-(sulfamoylamino)phenyl]-1,4-diazepane trichloride Formula: C12H20Cl3N4O2S-3 MolecularWeight: 390.7368

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)N.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)N.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C12H20N4O2S.3ClH/c1-15-7-2-8-16(10-9-15)12-5-3-11(4-6-12)14-19(13,17)18;;;/h3-6,14H,2,7-10H2,1H3,(H2,13,17,18);3*1H/p-3