5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S2/c26-21(19-13-14-12-16(25(27)28)7-10-18(14)31-19)23-15-5-8-17(9-6-15)32(29,30)24-20-4-2-1-3-11-22-20/h5-10,12-13H,1-4,11H2,(H,22,24)(H,23,26)