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

Systemtic Name: 5-(4-chlorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1H-pyrazole-4-carboxamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O5S/c1-31(29,30)14-6-7-16(17(10-14)25(27)28)21-8-9-22-19(26)15-11-23-24-18(15)12-2-4-13(20)5-3-12/h2-7,10-11,21H,8-9H2,1H3,(H,22,26)(H,23,24)