N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(tosylamino)propionamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H26N2O5S/c1-15-4-7-18(8-5-15)29(25,26)22-11-10-21(24)23-16(2)17-6-9-19-20(14-17)28-13-3-12-27-19/h4-9,14,16,22H,3,10-13H2,1-2H3,(H,23,24)