3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-1,4-dioxo-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-[4-(2-pyrimidylsulfamoyl)phenyl]naphthalene-2-sulfonamide Formula: C26H25N5O6S2 MolecularWeight: 567.6366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C26H25N5O6S2/c32-23-20-8-3-4-9-21(20)24(33)25(22(23)31-16-5-1-2-6-17-31)39(36,37)29-18-10-12-19(13-11-18)38(34,35)30-26-27-14-7-15-28-26/h3-4,7-15,29H,1-2,5-6,16-17H2,(H,27,28,30)