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

Systemtic Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-[butyl-[(E)-2-phenylethenyl]sulfonyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-[butyl-[(E)-styryl]sulfonyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]-2-[butyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-[butyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-[butyl-[(E)-styryl]sulfonyl-amino]acetamide Formula: C27H33ClN4O3S MolecularWeight: 529.09392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H33ClN4O3S/c1-5-6-17-31(36(34,35)18-16-21-10-8-7-9-11-21)20-26(33)29-25-19-24(27(2,3)4)30-32(25)23-14-12-22(28)13-15-23/h7-16,18-19H,5-6,17,20H2,1-4H3,(H,29,33)/b18-16+