phenyl 4-(chloranylsulfonylcarbamoylamino)-3-nitro-benzenesulfonate

Systemtic Name: phenyl 4-(chloranylsulfonylcarbamoylamino)-3-nitro-benzenesulfonate Openeye Name: phenyl 4-(chlorosulfonylcarbamoylamino)-3-nitro-benzenesulfonate CAS Name: 4-[[(chlorosulfonylamino)-oxomethyl]amino]-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(chlorosulfonylcarbamoylamino)-3-nitrobenzenesulfonate Traditional Name: 4-(chlorosulfonylcarbamoylamino)-3-nitro-benzenesulfonic acid phenyl ester Formula: C13H10ClN3O8S2 MolecularWeight: 435.8168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC(=O)NS(=O)(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC(=O)NS(=O)(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN3O8S2/c14-27(23,24)16-13(18)15-11-7-6-10(8-12(11)17(19)20)26(21,22)25-9-4-2-1-3-5-9/h1-8H,(H2,15,16,18)