N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(4-nitrophenyl)sulfonyl-ethanamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(4-nitrophenyl)sulfonyl-ethanamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-(4-nitrophenyl)sulfonyl-acetamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(4-nitrophenyl)sulfonylacetamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(4-nitrophenyl)sulfonylacetamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-2-nosyl-acetamide Formula: C28H40N2O6S MolecularWeight: 532.692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C28H40N2O6S/c1-7-27(3,4)21-11-16-25(24(19-21)28(5,6)8-2)36-18-10-9-17-29-26(31)20-37(34,35)23-14-12-22(13-15-23)30(32)33/h11-16,19H,7-10,17-18,20H2,1-6H3,(H,29,31)