2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-N-(phenylmethyl)ethanesulfonamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-N-(phenylmethyl)ethanesulfonamide Openeye Name: N-benzyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-ethanesulfonamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-ethyl-N-(phenylmethyl)ethanesulfonamide IUPAC Name: N-benzyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylethanesulfonamide Traditional Name: N-benzyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-ethanesulfonamide Formula: C16H22N4O4S MolecularWeight: 366.43528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N4O4S/c1-4-18(12-15-8-6-5-7-9-15)25(23,24)11-10-19-14(3)16(20(21)22)13(2)17-19/h5-9H,4,10-12H2,1-3H3