N,N-diethyl-3,5-dimethyl-1-(3-nitrophenyl)carbonyl-pyrazole-4-sulfonamide

Systemtic Name: N,N-diethyl-3,5-dimethyl-1-(3-nitrophenyl)carbonyl-pyrazole-4-sulfonamide Openeye Name: N,N-diethyl-3,5-dimethyl-1-(3-nitrobenzoyl)pyrazole-4-sulfonamide CAS Name: N,N-diethyl-3,5-dimethyl-1-[(3-nitrophenyl)-oxomethyl]-4-pyrazolesulfonamide IUPAC Name: N,N-diethyl-3,5-dimethyl-1-(3-nitrobenzoyl)pyrazole-4-sulfonamide Traditional Name: N,N-diethyl-3,5-dimethyl-1-(3-nitrobenzoyl)pyrazole-4-sulfonamide Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O5S/c1-5-18(6-2)26(24,25)15-11(3)17-19(12(15)4)16(21)13-8-7-9-14(10-13)20(22)23/h7-10H,5-6H2,1-4H3