N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C17H13ClN4O6S MolecularWeight: 436.82632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=CC(=NN2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=CC(=NN2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4O6S/c1-28-12-6-11(19-17(23)15-9-16(21-20-15)22(24)25)7-14(8-12)29(26,27)13-4-2-10(18)3-5-13/h2-9H,1H3,(H,19,23)(H,20,21)