N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O6S/c1-16-13-21(26(24-16)17-7-3-2-4-8-17)23-22(28)15-33-20-10-9-18(14-19(20)27(29)30)34(31,32)25-11-5-6-12-25/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,23,28)