N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-naphthylsulfonylamino)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-naphthylsulfonylamino)propionamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC1

InChI

InChI=1S/C22H22N2O5S/c25-22(24-18-7-9-20-21(15-18)29-13-3-12-28-20)10-11-23-30(26,27)19-8-6-16-4-1-2-5-17(16)14-19/h1-2,4-9,14-15,23H,3,10-13H2,(H,24,25)