N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H17N5O7S2 MolecularWeight: 515.51898

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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=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N5O7S2/c1-32-19-11-18(23-21(24-19)33-2)25-35(30,31)15-6-3-13(4-7-15)22-20(27)17-10-12-9-14(26(28)29)5-8-16(12)34-17/h3-11H,1-2H3,(H,22,27)(H,23,24,25)