N-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-N-(3-nitrophenyl)benzenesulfonamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=NN1CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O)C

InChI

InChI=1S/C20H22N4O5S/c1-15-11-16(2)22(21-15)13-19(25)14-23(17-7-6-8-18(12-17)24(26)27)30(28,29)20-9-4-3-5-10-20/h3-12,19,25H,13-14H2,1-2H3