N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C18H15ClN4O6S MolecularWeight: 450.8529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O6S/c1-29-15-6-13(21-18(24)11-22-10-14(9-20-22)23(25)26)7-17(8-15)30(27,28)16-4-2-12(19)3-5-16/h2-10H,11H2,1H3,(H,21,24)