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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5S/c1-30(28,29)16-7-8-17(18(11-16)24(26)27)20-9-10-21-19(25)14-12-22-23(13-14)15-5-3-2-4-6-15/h2-8,11-13,20H,9-10H2,1H3,(H,21,25)