N-(4-methoxyphenyl)-6-nitro-1-phenyl-4-(phenylmethyl)sulfonyl-indazole-3-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-6-nitro-1-phenyl-4-(phenylmethyl)sulfonyl-indazole-3-carboxamide Openeye Name: 4-benzylsulfonyl-N-(4-methoxyphenyl)-6-nitro-1-phenyl-indazole-3-carboxamide CAS Name: N-(4-methoxyphenyl)-6-nitro-1-phenyl-4-(phenylmethyl)sulfonyl-3-indazolecarboxamide IUPAC Name: 4-benzylsulfonyl-N-(4-methoxyphenyl)-6-nitro-1-phenylindazole-3-carboxamide Traditional Name: 4-benzylsulfonyl-N-(4-methoxyphenyl)-6-nitro-1-phenyl-indazole-3-carboxamide Formula: C28H22N4O6S MolecularWeight: 542.56248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NN(C3=CC(=CC(=C32)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NN(C3=CC(=CC(=C32)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O6S/c1-38-23-14-12-20(13-15-23)29-28(33)27-26-24(31(30-27)21-10-6-3-7-11-21)16-22(32(34)35)17-25(26)39(36,37)18-19-8-4-2-5-9-19/h2-17H,18H2,1H3,(H,29,33)