N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-(4-nitrophenyl)acetamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-(4-nitrophenyl)acetamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-(4-nitrophenyl)acetamide Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-4-16(5-2)29(26,27)17-10-11-19(28-3)18(13-17)21-20(23)12-14-6-8-15(9-7-14)22(24)25/h6-11,13,16H,4-5,12H2,1-3H3,(H,21,23)