sulfamoyl 2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)ethanoate dihydrochloride

Systemtic Name: sulfamoyl 2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)ethanoate dihydrochloride Openeye Name: sulfamoyl 2-phenyl-2-[4-(4-pyridyl)-1,4-diazepan-1-yl]acetate dihydrochloride CAS Name: 2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)acetic acid sulfamoyl ester dihydrochloride IUPAC Name: sulfamoyl 2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)acetate dihydrochloride Traditional Name: 2-phenyl-2-[4-(4-pyridyl)-1,4-diazepan-1-yl]acetic acid sulfamoyl ester dihydrochloride Formula: C18H24Cl2N4O4S MolecularWeight: 463.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CC=CC=C2)C(=O)OS(=O)(=O)N)C3=CC=NC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN(C1)C(C2=CC=CC=C2)C(=O)OS(=O)(=O)N)C3=CC=NC=C3.Cl.Cl

InChI

InChI=1S/C18H22N4O4S.2ClH/c19-27(24,25)26-18(23)17(15-5-2-1-3-6-15)22-12-4-11-21(13-14-22)16-7-9-20-10-8-16;;/h1-3,5-10,17H,4,11-14H2,(H2,19,24,25);2*1H