N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-4-nitro-benzenesulfonamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-4-nitro-benzenesulfonamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-4-nitro-benzenesulfonamide Formula: C18H22N2O7S2 MolecularWeight: 442.50648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7S2/c1-4-14(5-2)28(23,24)16-10-11-18(27-3)17(12-16)19-29(25,26)15-8-6-13(7-9-15)20(21)22/h6-12,14,19H,4-5H2,1-3H3