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

Systemtic Name: 3-(3-chlorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(3-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(3-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(3-chlorophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1H-pyrazole-5-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=CC(=NN2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

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