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

Systemtic Name: methyl 4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]methyl]benzoate Openeye Name: methyl 4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]methyl]benzoate CAS Name: 4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]methyl]benzoate Traditional Name: 4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]methyl]benzoic acid methyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO6S/c1-20(13-14-4-6-15(7-5-14)19(21)24-2)27(22,23)16-8-9-17-18(12-16)26-11-3-10-25-17/h4-9,12H,3,10-11,13H2,1-2H3