5-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: 5-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]thiophene-2-carboxamide Openeye Name: 5-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]thiophene-2-carboxamide CAS Name: 5-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-thiophenecarboxamide IUPAC Name: 5-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]thiophene-2-carboxamide Traditional Name: 5-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]thiophene-2-carboxamide Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21N3O6S2/c1-14(26)23-21-10-9-20(32-21)22(27)24-15-3-5-16(6-4-15)25-33(28,29)17-7-8-18-19(13-17)31-12-2-11-30-18/h3-10,13,25H,2,11-12H2,1H3,(H,23,26)(H,24,27)