N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]-2-[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]acetamide Formula: C25H30ClN5O5S MolecularWeight: 548.0542

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H30ClN5O5S/c1-6-12-29(37(35,36)19-10-11-20(26)21(14-19)31(33)34)16-24(32)27-23-15-22(25(3,4)5)28-30(23)18-9-7-8-17(2)13-18/h7-11,13-15H,6,12,16H2,1-5H3,(H,27,32)