4-(azepan-1-ylsulfonyl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide Formula: C25H29N5O7S2 MolecularWeight: 575.65706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H29N5O7S2/c1-36-23-17-22(27-25(28-23)37-2)29-38(32,33)20-13-9-19(10-14-20)26-24(31)18-7-11-21(12-8-18)39(34,35)30-15-5-3-4-6-16-30/h7-14,17H,3-6,15-16H2,1-2H3,(H,26,31)(H,27,28,29)