N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C21H21ClN4O6S MolecularWeight: 492.93264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)OC)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)OC)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21ClN4O6S/c1-4-19(25-13(2)9-20(24-25)26(28)29)21(27)23-15-10-16(32-3)12-18(11-15)33(30,31)17-7-5-14(22)6-8-17/h5-12,19H,4H2,1-3H3,(H,23,27)