4-(4-chlorophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(1-ethynylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C20H19ClN2O4S2 MolecularWeight: 450.95886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S2/c1-2-20(12-4-3-5-13-20)22-29(26,27)17-10-11-19(18(14-17)23(24)25)28-16-8-6-15(21)7-9-16/h1,6-11,14,22H,3-5,12-13H2