methyl 3-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 3-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 3-[[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 3-[[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 3-[[4-[2-(dimethylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H25N3O5S/c1-18(2)16(21)13-19-8-5-9-20(11-10-19)26(23,24)15-7-4-6-14(12-15)17(22)25-3/h4,6-7,12H,5,8-11,13H2,1-3H3