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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-31(29,30)17-7-8-18(19(11-17)25(27)28)21-9-10-22-20(26)16-12-23-24(14-16)13-15-5-3-2-4-6-15/h2-8,11-12,14,21H,9-10,13H2,1H3,(H,22,26)