1-(1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-sulfamoyl-guanidine

Systemtic Name: 1-(1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-sulfamoyl-guanidine Openeye Name: 1-(benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-sulfamoyl-guanidine CAS Name: 1-(5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-sulfamoylguanidine IUPAC Name: 1-(1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-sulfamoylguanidine Traditional Name: 1-(benzofuran-5-yl)-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-sulfamoyl-guanidine Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC2=CC3=C(C=C2)OC=C3)NS(=O)(=O)N)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC2=CC3=C(C=C2)OC=C3)NS(=O)(=O)N)CC(=O)N4CCCC4

InChI

InChI=1S/C21H28N6O5S/c22-33(30,31)25-21(23-16-6-7-18-15(13-16)8-12-32-18)24-17-5-1-2-11-27(20(17)29)14-19(28)26-9-3-4-10-26/h6-8,12-13,17H,1-5,9-11,14H2,(H2,22,30,31)(H2,23,24,25)