[6-nitro-1-phenyl-4-(phenylmethyl)sulfonyl-indazol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [6-nitro-1-phenyl-4-(phenylmethyl)sulfonyl-indazol-3-yl]-piperidin-1-yl-methanone Openeye Name: (4-benzylsulfonyl-6-nitro-1-phenyl-indazol-3-yl)-(1-piperidyl)methanone CAS Name: [6-nitro-1-phenyl-4-(phenylmethyl)sulfonyl-3-indazolyl]-(1-piperidinyl)methanone IUPAC Name: (4-benzylsulfonyl-6-nitro-1-phenylindazol-3-yl)-piperidin-1-ylmethanone Traditional Name: (4-benzylsulfonyl-6-nitro-1-phenyl-indazol-3-yl)-piperidino-methanone Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=NN(C3=CC(=CC(=C32)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=NN(C3=CC(=CC(=C32)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O5S/c31-26(28-14-8-3-9-15-28)25-24-22(29(27-25)20-12-6-2-7-13-20)16-21(30(32)33)17-23(24)36(34,35)18-19-10-4-1-5-11-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15,18H2