4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4,5-dimethyloxazol-2-yl)sulfanyl-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(4,5-dimethyl-2-oxazolyl)thio]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(4,5-dimethyloxazol-2-yl)thio]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(O3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(O3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S2/c1-11-4-6-14(7-5-11)20-28(24,25)15-8-9-17(16(10-15)21(22)23)27-18-19-12(2)13(3)26-18/h8-11,14,20H,4-7H2,1-3H3