[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H24N2O8S/c1-28-16-5-2-4-15(10-16)12-22-20(24)14-31-21(25)13-23-32(26,27)17-6-7-18-19(11-17)30-9-3-8-29-18/h2,4-7,10-11,23H,3,8-9,12-14H2,1H3,(H,22,24)