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

Systemtic Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-2-[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]-2-[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-2-[3-methoxypropyl(nosyl)amino]acetamide Formula: C26H33N5O6S MolecularWeight: 543.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCCOC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCCOC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O6S/c1-19-8-6-9-21(16-19)30-24(17-23(28-30)26(2,3)4)27-25(32)18-29(14-7-15-37-5)38(35,36)22-12-10-20(11-13-22)31(33)34/h6,8-13,16-17H,7,14-15,18H2,1-5H3,(H,27,32)