ethyl 3-[4-(dimethylsulfamoyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(dimethylsulfamoyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(dimethylsulfamoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(dimethylsulfamoyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(dimethylsulfamoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(dimethylsulfamoyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C16H22N4O7S MolecularWeight: 414.43348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O7S/c1-4-27-16(22)13-9-12(10-14(11-13)20(23)24)15(21)18-5-7-19(8-6-18)28(25,26)17(2)3/h9-11H,4-8H2,1-3H3