N-(1-ethynylcyclohexyl)-3-nitro-4-pyridin-2-ylsulfanyl-benzenesulfonamide

Systemtic Name: N-(1-ethynylcyclohexyl)-3-nitro-4-pyridin-2-ylsulfanyl-benzenesulfonamide Openeye Name: N-(1-ethynylcyclohexyl)-3-nitro-4-(2-pyridylsulfanyl)benzenesulfonamide CAS Name: N-(1-ethynylcyclohexyl)-3-nitro-4-(2-pyridinylthio)benzenesulfonamide IUPAC Name: N-(1-ethynylcyclohexyl)-3-nitro-4-pyridin-2-ylsulfanylbenzenesulfonamide Traditional Name: N-(1-ethynylcyclohexyl)-3-nitro-4-(2-pyridylthio)benzenesulfonamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C#CC1(CCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-2-19(11-5-3-6-12-19)21-28(25,26)15-9-10-17(16(14-15)22(23)24)27-18-8-4-7-13-20-18/h1,4,7-10,13-14,21H,3,5-6,11-12H2