N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-nitrophenyl)sulfonyl-phenethyl-amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-nitrophenyl)sulfonyl-phenethyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-nitrophenyl)sulfonyl-phenethyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]-2-[(4-nitrophenyl)sulfonyl-phenethylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-nitrophenyl)sulfonyl-phenethylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[nosyl(phenethyl)amino]acetamide Formula: C29H30ClN5O5S MolecularWeight: 596.097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C29H30ClN5O5S/c1-29(2,3)26-19-27(34(32-26)25-12-8-7-11-24(25)30)31-28(36)20-33(18-17-21-9-5-4-6-10-21)41(39,40)23-15-13-22(14-16-23)35(37)38/h4-16,19H,17-18,20H2,1-3H3,(H,31,36)