4-(5-methylpyrazol-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 4-(5-methylpyrazol-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-(5-methylpyrazol-1-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 4-(5-methyl-1-pyrazolyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 4-(5-methylpyrazol-1-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-14-9-10-23-24(14)16-5-3-15(4-6-16)20(26)22-12-11-21-18-8-7-17(31(2,29)30)13-19(18)25(27)28/h3-10,13,21H,11-12H2,1-2H3,(H,22,26)