calcium N-(2-cyclohexyloxy-4-nitro-phenyl)methanesulfonamide

Systemtic Name: calcium N-(2-cyclohexyloxy-4-nitro-phenyl)methanesulfonamide Openeye Name: calcium N-[2-(cyclohexoxy)-4-nitro-phenyl]methanesulfonamide CAS Name: calcium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide IUPAC Name: calcium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide Traditional Name: calcium N-[2-(cyclohexoxy)-4-nitro-phenyl]methanesulfonamide Formula: C13H18CaN2O5S+2 MolecularWeight: 354.43542

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2.[Ca+2]

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2.[Ca+2]

InChI

InChI=1S/C13H18N2O5S.Ca/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h7-9,11,14H,2-6H2,1H3;/q;+2