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

Systemtic Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[(4-nitrophenyl)sulfonyl-propyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-2-[(4-nitrophenyl)sulfonyl-propyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]-2-[(4-nitrophenyl)sulfonyl-propylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[(4-nitrophenyl)sulfonyl-propylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-2-[nosyl(propyl)amino]acetamide Formula: C25H31N5O5S MolecularWeight: 513.60914

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O5S/c1-6-14-28(36(34,35)21-12-10-19(11-13-21)30(32)33)17-24(31)26-23-16-22(25(3,4)5)27-29(23)20-9-7-8-18(2)15-20/h7-13,15-16H,6,14,17H2,1-5H3,(H,26,31)