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

Systemtic Name: methyl 2-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]-2-methyl-propionic acid methyl ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CN(C)S(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CN(C)S(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H24N2O7S/c1-17(2,16(21)24-4)18-15(20)11-19(3)27(22,23)12-6-7-13-14(10-12)26-9-5-8-25-13/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,20)