[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C18H26N2O5S/c1-14-8-9-15(26(23,24)19(2)3)12-16(14)18(22)25-13-17(21)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3