(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H19ClN2O8S MolecularWeight: 518.92356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN2O8S/c24-20-7-6-16(10-21(20)35(30,31)25-11-15-4-2-1-3-5-15)23(27)33-13-18-9-19(26(28)29)8-17-12-32-14-34-22(17)18/h1-10,25H,11-14H2