[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C18H26N2O7S/c1-25-15-8-7-14(11-16(15)26-2)28(23,24)19-12-18(22)27-13-17(21)20-9-5-3-4-6-10-20/h7-8,11,19H,3-6,9-10,12-13H2,1-2H3