4-chloranyl-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Openeye Name: 4-chloro-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide CAS Name: 4-chloro-N-methyl-3-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Traditional Name: 4-chloro-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O4S/c1-20(11-13-10-19-21(12-13)14-5-3-2-4-6-14)27(25,26)15-7-8-16(18)17(9-15)22(23)24/h2-10,12H,11H2,1H3