4-tert-butylsulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-tert-butylsulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-tert-butylsulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-(tert-butylthio)-N-(1-ethynylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-tert-butylsulfanyl-N-(1-ethynylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(tert-butylthio)-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=C(C=C1)S(=O)(=O)NC2(CCCCC2)C#C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC1=C(C=C(C=C1)S(=O)(=O)NC2(CCCCC2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O4S2/c1-5-18(11-7-6-8-12-18)19-26(23,24)14-9-10-16(25-17(2,3)4)15(13-14)20(21)22/h1,9-10,13,19H,6-8,11-12H2,2-4H3