4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-thienylmethyl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-thenyl)benzamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=CS4)OC1

InChI

InChI=1S/C21H20N2O5S2/c24-21(22-14-17-3-1-12-29-17)15-4-6-16(7-5-15)23-30(25,26)18-8-9-19-20(13-18)28-11-2-10-27-19/h1,3-9,12-13,23H,2,10-11,14H2,(H,22,24)