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

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-4-nitro-benzamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-4-nitro-benzamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-4-nitrobenzamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-4-nitrobenzamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-4-nitro-benzamide Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-4-15(5-2)28(25,26)16-10-11-18(27-3)17(12-16)20-19(22)13-6-8-14(9-7-13)21(23)24/h6-12,15H,4-5H2,1-3H3,(H,20,22)