3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[1-(4-ethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[1-(4-ethoxyphenyl)ethyl]propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[1-(4-ethoxyphenyl)ethyl]propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[1-(4-ethoxyphenyl)ethyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[1-(4-ethoxyphenyl)ethyl]propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-p-phenetylethyl)propionamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O6S/c1-3-28-18-7-5-17(6-8-18)16(2)24-22(25)11-12-23-31(26,27)19-9-10-20-21(15-19)30-14-4-13-29-20/h5-10,15-16,23H,3-4,11-14H2,1-2H3,(H,24,25)