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

Systemtic Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]-2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]acetamide Formula: C23H26ClN5O5S MolecularWeight: 520.00104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H26ClN5O5S/c1-15-8-6-7-9-18(15)28-21(13-20(26-28)23(2,3)4)25-22(30)14-27(5)35(33,34)16-10-11-17(24)19(12-16)29(31)32/h6-13H,14H2,1-5H3,(H,25,30)