4-chloranyl-N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3,5-dinitro-benzamide

Systemtic Name: 4-chloranyl-N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3,5-dinitro-benzamide CAS Name: 4-chloro-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3,5-dinitro-benzamide Formula: C19H20ClN3O8S MolecularWeight: 485.8954

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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-])Cl)[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-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O8S/c1-4-12(5-2)32(29,30)13-6-7-17(31-3)14(10-13)21-19(24)11-8-15(22(25)26)18(20)16(9-11)23(27)28/h6-10,12H,4-5H2,1-3H3,(H,21,24)