N-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-N-(4-methylphenyl)-2-nitro-benzenesulfonamide hydrochloride

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-N-(4-methylphenyl)-2-nitro-benzenesulfonamide hydrochloride Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-2-nitro-N-(p-tolyl)benzenesulfonamide hydrochloride CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide hydrochloride IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide hydrochloride Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-2-nitro-N-(p-tolyl)benzenesulfonamide hydrochloride Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(CN2C(=CC(=N2)C)C)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(CN2C(=CC(=N2)C)C)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].Cl

InChI

InChI=1S/C21H24N4O5S.ClH/c1-15-8-10-18(11-9-15)24(14-19(26)13-23-17(3)12-16(2)22-23)31(29,30)21-7-5-4-6-20(21)25(27)28;/h4-12,19,26H,13-14H2,1-3H3;1H