3-chloranyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C21H16ClN5O5S2 MolecularWeight: 517.96524

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O5S2/c1-11-10-12(2)24-21(23-11)26-34(31,32)14-8-6-13(7-9-14)25-20(28)19-17(22)15-4-3-5-16(27(29)30)18(15)33-19/h3-10H,1-2H3,(H,25,28)(H,23,24,26)