[2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C22H25ClN4O7S MolecularWeight: 524.9745

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN4O7S/c1-25(2)35(32,33)20-13-16(7-8-17(20)23)24-21(28)14-34-22(29)15-6-9-18(19(12-15)27(30)31)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,28)