N-[5-hexadecoxy-2-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzenesulfonamide

Systemtic Name: N-[5-hexadecoxy-2-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzenesulfonamide Openeye Name: N-[5-hexadecoxy-2-hydroxy-4-(1,1,3,3-tetramethylbutyl)phenyl]-2-morpholino-5-nitro-benzenesulfonamide CAS Name: N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(4-morpholinyl)-5-nitrobenzenesulfonamide IUPAC Name: N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzenesulfonamide Traditional Name: N-[5-cetyloxy-2-hydroxy-4-(1,1,3,3-tetramethylbutyl)phenyl]-2-morpholino-5-nitro-benzenesulfonamide Formula: C40H65N3O7S MolecularWeight: 732.025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C40H65N3O7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-50-37-30-34(36(44)29-33(37)40(5,6)31-39(2,3)4)41-51(47,48)38-28-32(43(45)46)21-22-35(38)42-23-26-49-27-24-42/h21-22,28-30,41,44H,7-20,23-27,31H2,1-6H3