N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C21H21ClN4O6S MolecularWeight: 492.93264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O6S/c1-13-21(26(28)29)14(2)25(24-13)9-8-20(27)23-16-10-17(32-3)12-19(11-16)33(30,31)18-6-4-15(22)5-7-18/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)