methyl 3-(2-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: methyl 3-(2-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: methyl 3-(2-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: 3-(2-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(2-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: 3-(2-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid methyl ester Formula: C19H20ClNO6S MolecularWeight: 425.8832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20ClNO6S/c1-25-19(22)12-16(14-5-2-3-6-15(14)20)21-28(23,24)13-7-8-17-18(11-13)27-10-4-9-26-17/h2-3,5-8,11,16,21H,4,9-10,12H2,1H3