N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-14-9-10-18(11-20(14)24(25)26)29(27,28)21-12-19-15(2)22-23(16(19)3)13-17-7-5-4-6-8-17/h4-11,21H,12-13H2,1-3H3