3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-methoxy-3-(phenylmethyl)phenyl]propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-methoxy-3-(phenylmethyl)phenyl]propanamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-methoxy-3-(phenylmethyl)phenyl]propanamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O6S/c1-32-23-10-8-21(17-20(23)16-19-6-3-2-4-7-19)28-26(29)12-13-27-35(30,31)22-9-11-24-25(18-22)34-15-5-14-33-24/h2-4,6-11,17-18,27H,5,12-16H2,1H3,(H,28,29)