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

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-nitro-benzenesulfonamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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