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

Systemtic Name: 1-(1-adamantyl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C27H27ClN4O6S MolecularWeight: 571.04448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H27ClN4O6S/c1-38-21-9-20(10-23(11-21)39(36,37)22-4-2-19(28)3-5-22)29-26(33)25-24(32(34)35)15-31(30-25)27-12-16-6-17(13-27)8-18(7-16)14-27/h2-5,9-11,15-18H,6-8,12-14H2,1H3,(H,29,33)