3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H23N5O5S/c1-12-10-13(2)21(20-12)9-6-17(23)19-8-7-18-15-5-4-14(28(3,26)27)11-16(15)22(24)25/h4-5,10-11,18H,6-9H2,1-3H3,(H,19,23)