N-[[4-[[(4-chlorophenyl)carbonylamino]carbamoyl]cyclohexyl]methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[[4-[[(4-chlorophenyl)carbonylamino]carbamoyl]cyclohexyl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[[4-[[(4-chlorobenzoyl)amino]carbamoyl]cyclohexyl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[4-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-oxomethyl]cyclohexyl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[[4-[[(4-chlorobenzoyl)amino]carbamoyl]cyclohexyl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[[4-[[(4-chlorobenzoyl)amino]carbamoyl]cyclohexyl]methyl]-4-nitro-benzenesulfonamide Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O6S/c22-17-7-5-16(6-8-17)21(28)25-24-20(27)15-3-1-14(2-4-15)13-23-33(31,32)19-11-9-18(10-12-19)26(29)30/h5-12,14-15,23H,1-4,13H2,(H,24,27)(H,25,28)