3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)propionamide Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O6S/c1-13-18(23(25)26)14(2)22(20-13)8-7-17(24)19-15-3-5-16(6-4-15)30(27,28)21-9-11-29-12-10-21/h3-6H,7-12H2,1-2H3,(H,19,24)