3-chloranyl-4-methyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[3-(1-pyrazolylmethyl)phenyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)CN3C=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)CN3C=CC=N3)Cl

InChI

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