N-(4-methylcyclohexyl)-4-(4-methylsulfonylphenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-(4-methylsulfonylphenoxy)-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-(4-methylsulfonylphenoxy)-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-(4-methylsulfonylphenoxy)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-(4-methylsulfonylphenoxy)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-mesylphenoxy)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O7S2/c1-14-3-5-15(6-4-14)21-31(27,28)18-11-12-20(19(13-18)22(23)24)29-16-7-9-17(10-8-16)30(2,25)26/h7-15,21H,3-6H2,1-2H3