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

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N5O5S2/c1-12-9-13(2)23-21(22-12)25-33(30,31)17-6-3-15(4-7-17)24-20(27)19-11-14-10-16(26(28)29)5-8-18(14)32-19/h3-11H,1-2H3,(H,24,27)(H,22,23,25)