(3-chlorophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate

Systemtic Name: (3-chlorophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: (3-chlorophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid (3-chlorophenyl) ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)OC1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18ClNO6S/c1-20(12-18(21)26-14-5-2-4-13(19)10-14)27(22,23)15-6-7-16-17(11-15)25-9-3-8-24-16/h2,4-7,10-11H,3,8-9,12H2,1H3