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

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

Isomeric SMILES

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

InChI

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