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

Systemtic Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-methyl-phenyl]propanamide Openeye Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-methyl-phenyl]propanamide CAS Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-methylphenyl]propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-methylphenyl]propanamide Traditional Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-methyl-phenyl]propionamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H22N2O5S/c1-3-19(22)20-15-6-4-7-16(13(15)2)21-27(23,24)14-8-9-17-18(12-14)26-11-5-10-25-17/h4,6-9,12,21H,3,5,10-11H2,1-2H3,(H,20,22)