2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)-2-sulfamoyl-ethanoic acid

Systemtic Name: 2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)-2-sulfamoyl-ethanoic acid Openeye Name: 2-phenyl-2-[4-(4-pyridyl)-1,4-diazepan-1-yl]-2-sulfamoyl-acetic acid CAS Name: 2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)-2-sulfamoylacetic acid IUPAC Name: 2-phenyl-2-(4-pyridin-4-yl-1,4-diazepan-1-yl)-2-sulfamoylacetic acid Traditional Name: 2-phenyl-2-[4-(4-pyridyl)-1,4-diazepan-1-yl]-2-sulfamoyl-acetic acid Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CC=CC=C2)(C(=O)O)S(=O)(=O)N)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(C2=CC=CC=C2)(C(=O)O)S(=O)(=O)N)C3=CC=NC=C3

InChI

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