N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide hydrochloride

Systemtic Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide hydrochloride Openeye Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide hydrochloride CAS Name: N-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-nitrobenzenesulfonamide hydrochloride IUPAC Name: N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-nitrobenzenesulfonamide hydrochloride Traditional Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide hydrochloride Formula: C13H17ClN4O4S MolecularWeight: 360.81648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C.Cl

Isomeric SMILES

CCN1C(=C(C=N1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C.Cl

InChI

InChI=1S/C13H16N4O4S.ClH/c1-3-16-10(2)11(8-14-16)9-15-22(20,21)13-6-4-12(5-7-13)17(18)19;/h4-8,15H,3,9H2,1-2H3;1H