2-[cyclohexylcarbamoyl(nitroso)amino]ethyl 4-nitrobenzenesulfonate

Systemtic Name: 2-[cyclohexylcarbamoyl(nitroso)amino]ethyl 4-nitrobenzenesulfonate Openeye Name: 2-[cyclohexylcarbamoyl(nitroso)amino]ethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-[[(cyclohexylamino)-oxomethyl]-nitrosoamino]ethyl ester IUPAC Name: 2-[cyclohexylcarbamoyl(nitroso)amino]ethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-[cyclohexylcarbamoyl(nitroso)amino]ethyl ester Formula: C15H20N4O7S MolecularWeight: 400.4069

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=O

Isomeric SMILES

C1CCC(CC1)NC(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=O

InChI

InChI=1S/C15H20N4O7S/c20-15(16-12-4-2-1-3-5-12)18(17-21)10-11-26-27(24,25)14-8-6-13(7-9-14)19(22)23/h6-9,12H,1-5,10-11H2,(H,16,20)