N-(1-ethynylcyclohexyl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide

Systemtic Name: N-(1-ethynylcyclohexyl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide Openeye Name: N-(1-ethynylcyclohexyl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide CAS Name: N-(1-ethynylcyclohexyl)-3-nitro-4-(phenylthio)benzenesulfonamide IUPAC Name: N-(1-ethynylcyclohexyl)-3-nitro-4-phenylsulfanylbenzenesulfonamide Traditional Name: N-(1-ethynylcyclohexyl)-3-nitro-4-(phenylthio)benzenesulfonamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C#CC1(CCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4S2/c1-2-20(13-7-4-8-14-20)21-28(25,26)17-11-12-19(18(15-17)22(23)24)27-16-9-5-3-6-10-16/h1,3,5-6,9-12,15,21H,4,7-8,13-14H2