1-(3-chlorophenyl)-5-ethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-5-ethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-5-ethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-5-ethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-5-ethyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O5S/c1-3-19-17(13-25-26(19)15-6-4-5-14(22)11-15)21(28)24-10-9-23-18-8-7-16(33(2,31)32)12-20(18)27(29)30/h4-8,11-13,23H,3,9-10H2,1-2H3,(H,24,28)