N-[4-[4-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[4-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-[4-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-[4-(5-esyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-methyl-3-nitro-benzamide Formula: C26H21N5O6S MolecularWeight: 531.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O6S/c1-3-38(35,36)19-10-11-23-21(13-19)29-26(37-23)20-14-27-30-24(20)16-6-8-18(9-7-16)28-25(32)17-5-4-15(2)22(12-17)31(33)34/h4-14H,3H2,1-2H3,(H,27,30)(H,28,32)