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

Systemtic Name: methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methyl-benzoate Openeye Name: methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methyl-benzoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methylbenzoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methyl-benzoic acid methyl ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H19NO6S/c1-12-4-5-13(18(20)23-2)10-15(12)19-26(21,22)14-6-7-16-17(11-14)25-9-3-8-24-16/h4-7,10-11,19H,3,8-9H2,1-2H3