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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CNC(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CNC(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C22H21N3O6S2/c26-21(14-23-22(27)20-3-1-12-32-20)24-15-4-6-16(7-5-15)25-33(28,29)17-8-9-18-19(13-17)31-11-2-10-30-18/h1,3-9,12-13,25H,2,10-11,14H2,(H,23,27)(H,24,26)